SCHEMBL2805441

SCHEMBL2805441

Cc1ccccc1-c1ccc(C(=O)O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.53
MCL1 Q07820 1/20 0.53
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
PTGS2 P35354 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTPRC P08575 2/20 0.51
SRD5A2 P31213 2/20 0.49
KMT2A Q03164 1/20 0.49
SRD5A1 P18405 1/20 0.49

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
SCHEMBL272092 0.89 TTR (0.56) TTRMCL1POLBKDM4EGAA
SCHEMBL2777510 0.88 TTR (0.51) TTRMCL1POLBKDM4ECA12
SCHEMBL6537037 0.85 TTR (0.60) TTRPOLBKDM4ECA12CA1
SCHEMBL4915994 0.84 TTR (0.51) TTRMCL1POLBKDM4EPTPRC
SCHEMBL4849736 0.83 TTR (0.50) TTRPOLBKDM4EGAAMAPT
SCHEMBL2771199 0.82 CA12 (0.73) TTRPOLBKDM4ECA12CA1
Protocatechuic Acid SCHEMBL27842164 0.81 CA12 (0.73) TTRMCL1POLBKDM4ECA12
SCHEMBL408614 0.81 XDH (0.59) POLBKDM4ECA12CA1CA2
SCHEMBL2771886 0.81 PTPRC (0.47) TTRMCL1POLBKDM4EGAA
SCHEMBL31047113 0.81 ALDH1A1 (0.51) TTRKDM4EMAPTPTPRCKMT2A

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-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
EP-0888357-A1 AZASPIRO DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-01-07 EP disclosed
WO-1997034900-A1 AZASPIRO DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1997-09-25 WO 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 TTR 3389/4885MCL1 399/4885POLB 1303/4885

“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.