SCHEMBL4570677

SCHEMBL4570677

COc1ccc(C(=C(C)C#N)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
ESR1 P03372 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NQO2 P16083 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL276200 0.93 CES2 (0.53) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL275645 0.93 CES2 (0.53) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL18961632 0.91 CES2 (0.51) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL18972880 0.81 CYP19A1 (0.50) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL18961675 0.81 CYP19A1 (0.50) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL1837474 0.81 CA1 (0.50) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL1837473 0.81 CA1 (0.50) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL18961674 0.80 CES2 (0.44) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL18961644 0.78 CYP19A1 (0.47) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL2957320 0.78 ALDH1A1 (0.70) NPSR1MAPTALDH1A1KDM4EHPGD

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 5 patents. 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-20120201766-A1 Topical Compositions Comprising An Alkoxylated Diphenylacrylate Compound And An Organic Nonionic Emulsifier ELC MANAGEMENT LLC 2012-08-09 US disclosed
US-20120134943-A1 Topical Compositions Comprising An Alkoxylated Diphenylacrylate Compound And An Aryl Carboxylic Ester ELC MANAGEMENT LLC 2012-05-31 US disclosed
US-20120121673-A1 Topical Compositions Comprising Inorganic Particulates And An Alkoxylated Diphenylacrylate Compound SUSAK MILANKA (CA) 2012-05-17 US disclosed
US-20110110988-A1 Topical Compositions Comprising Inorganic Particulates And An Alkoxylated Diphenylacrylate Compound ELC MANAGEMENT LLC 2011-05-12 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 (4 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-20120201766-A1 Topical Compositions Comprising An Alkoxylated Diphenylacrylate Compound And An Organic Nonionic Emulsifier CUTA, ALAD, DSG1 NPSR1 4757/4885MAPT 143/4885ALDH1A1 39/4885
US-20110110988-A1 Topical Compositions Comprising Inorganic Particulates And An Alkoxylated Diphenylacrylate Compound CUTA, ALAD, AAAS NPSR1 4674/4885MAPT 131/4885ALDH1A1 53/4885
US-20120121673-A1 Topical Compositions Comprising Inorganic Particulates And An Alkoxylated Diphenylacrylate Compound CUTA, ALAD, AAAS NPSR1 4674/4885MAPT 131/4885ALDH1A1 53/4885
US-20120134943-A1 Topical Compositions Comprising An Alkoxylated Diphenylacrylate Compound And An Aryl Carboxylic Ester CUTA, TYR, ACMSD NPSR1 4872/4885MAPT 101/4885ALDH1A1 42/4885

“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.