SCHEMBL2474471

SCHEMBL2474471

COc1ccc(C2CC(=O)OC(=O)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
RECQL P46063 2/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10017608 0.84 CTRB1 (0.53) ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL428339 0.82 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL6662678 0.82 ALOX15 (0.55) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL6263190 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL5857849 0.80 HTR2C (0.54) ALDH1A1MAPTPOLBNPC1
SCHEMBL11221386 0.80 LMNA (0.46) ALDH1A1MAPK1MAPTHPGDPOLB
SCHEMBL1177339 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL11263779 0.79 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL2471171 0.79 MAP1LC3B (0.50) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL10017611 0.78 CTRB1 (0.49) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
JP-2006117578-A METHOD FOR PRODUCING 3-ARYLGLUTARIC ANHYDRIDE CHISSO CORP 2006-05-11 JP disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 EP disclosed
US-6649613-B1 Integrin inhibitors MERCK PATENT GMBH (DE) 2003-11-18 US disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
EP-1194401-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2002-04-10 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
WO-2001005753-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2001-01-25 WO disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ALDH1A1 1400/4885KMT2A 4510/4885MEN1 681/4885
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV ALDH1A1 669/4885KMT2A 3366/4885MEN1 4396/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B ALDH1A1 834/4885KMT2A 3771/4885MEN1 3450/4885
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 ALDH1A1 1019/4885KMT2A 2363/4885MEN1 3305/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 ALDH1A1 1308/4885KMT2A 3497/4885MEN1 2945/4885

“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.