SCHEMBL910886

SCHEMBL910886

COc1ccccc1C(C)[C]=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ACHE P22303 1/20 0.47
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
LPAR1 Q92633 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8016378 0.84 IRAK4 (0.44) CA1CA2CA7CA9ACHE
SCHEMBL910554 0.82 ALDH1A1 (0.46) KMT2AL3MBTL1NPSR1ALDH1A1TDP1
SCHEMBL6486060 0.81 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL30365712 0.79 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL958232 0.79 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL910855 0.78 L3MBTL1 (0.41) KMT2AHTTL3MBTL1NPSR1ALDH1A1
SCHEMBL9161755 0.78 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL9161751 0.78 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL9161769 0.78 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL28866058 0.78 CA1 (0.46) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US claimed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 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 (5 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CA1 4651/4885CA2 2941/4885CA7 3088/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CA1 1466/4885CA2 876/4885CA7 391/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 CA1 2822/4885CA2 1017/4885CA7 1049/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CA1 4609/4885CA2 3261/4885CA7 2864/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 CA1 695/4885CA2 869/4885CA7 648/4885

“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.