SCHEMBL9419972

SCHEMBL9419972

C=CCOC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.54
CYP3A4 P08684 1/20 0.50
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL8839201 0.91 KMT2A (0.51) SNCACYP3A4CA1CA2MAPT
SCHEMBL548224 0.89 SNCA (0.52) SNCACYP3A4ADRB2ADRB1ADRB3
SCHEMBL175786 0.86 SNCA (0.67) SNCACYP3A4ADRB2ADRB1ADRB3
SCHEMBL7661375 0.84 HDAC1 (0.42) CYP3A4MAPTTDP1HDAC1ALDH1A1
SCHEMBL28740076 0.83 SNCA (0.57) SNCACYP3A4MAPTALDH1A1HSD17B10
SCHEMBL2705494 0.81 SNCA (0.58) SNCACYP3A4ADRB2ADRB1ADRB3
SCHEMBL6063574 0.81 CA1 (0.49) CA1CA2MAPTTDP1L3MBTL1
SCHEMBL11048573 0.81 CA1 (0.61) SNCACYP3A4CA1CA2MAPT
SCHEMBL9270334 0.81 SNCA (0.58) SNCACYP3A4ADRB2ADRB1ADRB3
SCHEMBL8839061 0.81 SNCA (0.58) SNCACYP3A4ADRB2ADRB1ADRB3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0392514-B1 Organic glass with high refractive index DAISO CO LTD (JP) 1994-10-12 EP claimed
US-5051488-A A copolymer of diallyl isophthalate, allyl benzoate or methallyl benzoate and a diester of maleic acid DAISO CO., LTD. (JP) 1991-09-24 US claimed
EP-0392514-A2 Organic glass with high refractive index DAISO CO., LTD. (JP) 1990-10-17 EP claimed
US-20230002520-A1 CURABLE COMPOSITION, CURED PRODUCT, AND METHOD FOR PRODUCING CURED PRODUCT TOKYO OHKA KOGYO CO., LTD. (JP) 2023-01-05 US disclosed
US-8034933-B2 graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2011-10-11 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-09-04 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
EP-0392514-B1 Organic glass with high refractive index DAISO CO LTD (JP) 1994-10-12 EP disclosed
US-5051488-A A copolymer of diallyl isophthalate, allyl benzoate or methallyl benzoate and a diester of maleic acid DAISO CO., LTD. (JP) 1991-09-24 US disclosed
EP-0392514-A2 Organic glass with high refractive index DAISO CO., LTD. (JP) 1990-10-17 EP disclosed
US-4282203-A Hair lacquer and hair lotion compositions containing a copolymer having units of a vinyl allyl or methally ester of an α- or β-cyclic carboxylic acid L'OREAL (FR) 1981-08-04 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 (1 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-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CCR10, CXCR3 SNCA 2692/4885CYP3A4 860/4885ADRB2 209/4885

“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.