SCHEMBL883530

SCHEMBL883530

COC(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
ATM Q13315 2/20 0.55
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
XDH P47989 1/20 0.52
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL31544703 0.96 ALDH1A1 (0.56) ALDH1A1ATMCA12CA1CA2
SCHEMBL2633409 0.96 ALDH1A1 (0.56) ALDH1A1ATMCA12CA1CA2
SCHEMBL10118342 0.95 ALDH1A1 (0.55) ALDH1A1ATMCA12CA1CA2
SCHEMBL22916696 0.95 ALDH1A1 (0.55) ALDH1A1ATMCA12CA1CA2
SCHEMBL9644030 0.92 CA1 (0.55) ALDH1A1ATMCA12CA1CA2
SCHEMBL2729577 0.86 DRD2 (0.47) ALDH1A1ATMCA12CA1CA2
SCHEMBL1263166 0.84 MELK (0.50) ALDH1A1ATMCA12CA1CA2
SCHEMBL12608358 0.84 HDAC6 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL12486922 0.82 MELK (0.44) ALDH1A1ATMCA12CA1CA2
SCHEMBL7857526 0.82 CHRNB2 (0.43) ALDH1A1ATMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 CN disclosed
EP-4257588-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF Reistone Biopharma Company Limited (CN) 2023-10-11 EP disclosed
WO-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed
WO-2022117059-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF 瑞石生物医药有限公司 2022-06-09 WO disclosed
US-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 US disclosed
US-9428439-B2 Hydrobenzamide derivatives as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2016-08-30 US disclosed
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 US disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 US disclosed
US-8987473-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO disclosed
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 WO disclosed
WO-1996015099-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-05-23 WO disclosed
WO-1996015100-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-05-23 WO disclosed
EP-0149884-B1 5-PYRIDYL-1,3-THIAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-16 EP disclosed
US-4612321-A 5-pyridyl-1,3-thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1986-09-16 US disclosed
EP-0149884-A2 5-Pyridyl-1,3-thiazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-07-31 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 (2 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-20180022693-A1 COMPOUNDS ERCC4, NQO1, ERCC5 ALDH1A1 981/4885ATM 1933/4885CA12 822/4885
US-20150203490-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 ALDH1A1 487/4885ATM 4651/4885CA12 1693/4885

“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.