Sugi Predict

Sugi Predict / Compounds / SCHEMBL276200

SCHEMBL276200

SCHEMBL276200

COc1ccc(/C(=C(\C)C#N)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ CYP19A1 P11511 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ CDK5 Q00535 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL275645 1.00 CES2 (0.53) CES2CES1CYP19A1MAPTKDM4E
SCHEMBL18961632 0.98 CES2 (0.51) CES2CES1CYP19A1MAPTKDM4E
SCHEMBL4570677 0.93 NPSR1 (0.52) CES2CES1MAPTKDM4EALDH1A1
SCHEMBL18972880 0.89 CYP19A1 (0.50) CES2CES1CYP19A1MAPTKDM4E
SCHEMBL18961675 0.89 CYP19A1 (0.50) CES2CES1CYP19A1MAPTKDM4E
SCHEMBL18961674 0.87 CES2 (0.44) CES2CES1CYP19A1MAPTKDM4E
SCHEMBL10031632 0.85 ESR1 (0.43) CES2CES1CYP19A1MAPTALDH1A1
SCHEMBL18961644 0.85 CYP19A1 (0.47) CES2CES1CYP19A1MAPTKDM4E
SCHEMBL18961723 0.84 CES2 (0.44) CES2CES1CYP19A1MAPTKDM4E
SCHEMBL20067746 0.83 ESR1 (0.59) CES2CES1CYP19A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765156-B2 Topical compositions comprising inorganic particulates and an alkoxylated diphenylacrylate compound ELC MANAGEMENT LLC (US) 2014-07-01 — — US disclosed
US-8431112-B2 Photostabilization of cholecalciferol with alkoxycrylene compounds Hallstar Innocations Corp. (US) 2013-04-30 — — US disclosed
US-8329148-B1 Photostabilization of coenzyme Q compounds with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-12-11 — — US disclosed
US-20120308495-A1 PHOTOSTABILIZATION OF COENZYME Q COMPOUNDS WITH ALKOXYCRYLENE COMPOUNDS HALLSTAR INNOVATION CORP. (US) 2012-12-06 — — US disclosed
US-8278332-B2 Photostabilization of retinoids with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-10-02 — — US disclosed
US-8268294-B2 Photostabilization of retinoids with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-09-18 — — US disclosed
US-8263051-B2 Photostabilization of resveratrol with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-09-11 — — US disclosed
US-8263050-B2 Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions HALLSTAR INNOVATIONS CORP. (US) 2012-09-11 — — US disclosed
US-8257687-B2 Photostabilization of coenzyme Q compounds with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-09-04 — — US disclosed
US-20120201766-A1 Topical Compositions Comprising An Alkoxylated Diphenylacrylate Compound And An Organic Nonionic Emulsifier ELC MANAGEMENT LLC 2012-08-09 — — US disclosed
US-20090324570-A1 Photostabilization of Retinoids with Alkoxycrylene Compounds HALLSTAR INNOVATIONS CORP. (US) 2009-12-31 — — US disclosed
US-20090291055-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-11-26 — — US disclosed
US-20090291141-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-11-26 — — US disclosed
US-7597825-B2 Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions HALLSTAR INNOVATIONS CORP. (US) 2009-10-06 — — US disclosed
US-20090246157-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-10-01 — — US disclosed
US-7588702-B2 Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions HALLSTAR INNOVATIONS CORP. (US) 2009-09-15 — — US disclosed
US-20090208435-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-08-20 — — US disclosed
US-20090074687-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-03-19 — — US disclosed
US-20090039323-A1 Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions HALLSTAR INNOVATIONS CORP. (US) 2009-02-12 — — US disclosed
US-20090041847-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS HALLSTAR INNOVATIONS CORP. (US) 2009-02-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090291055-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS C1S, CBR3, C9 CES2 552/4885CES1 1013/4885CYP19A1 891/4885
US-20090039323-A1 Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions CRYAA, CRY2, CRY1 CES2 381/4885CES1 449/4885CYP19A1 1052/4885
US-20120201766-A1 Topical Compositions Comprising An Alkoxylated Diphenylacrylate Compound And An Organic Nonionic Emulsifier CUTA, ALAD, DSG1 CES2 3720/4885CES1 1998/4885CYP19A1 77/4885
US-20090041847-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS C1S, CBR3, C9 CES2 906/4885CES1 1418/4885CYP19A1 1076/4885
US-20090208435-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS C1S, CBR3, C9 CES2 552/4885CES1 1013/4885CYP19A1 891/4885
US-20090291141-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS C1S, CBR3, C9 CES2 477/4885CES1 972/4885CYP19A1 983/4885
US-20120308495-A1 PHOTOSTABILIZATION OF COENZYME Q COMPOUNDS WITH ALKOXYCRYLENE COMPOUNDS NDUFA10, COQ8A, NDUFB10 CES2 2530/4885CES1 1072/4885CYP19A1 175/4885
US-20090324570-A1 Photostabilization of Retinoids with Alkoxycrylene Compounds RBP4, RARA, RBP1 CES2 1190/4885CES1 297/4885CYP19A1 154/4885
US-20090074687-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS CRYAA, CRY2, CRYAB CES2 333/4885CES1 418/4885CYP19A1 1127/4885
US-20090246157-A1 METHOD OF QUENCHING ELECTRONIC EXCITATION OF CHROMOPHORE-CONTAINING ORGANIC MOLECULES IN PHOTOACTIVE COMPOSITIONS C1S, CBR3, C9 CES2 477/4885CES1 972/4885CYP19A1 983/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.