SCHEMBL4943334

SCHEMBL4943334

Cc1cc(-c2ccccc2C)ccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.71
RXRB P28702 2/20 0.53
MYC P01106 1/20 0.51
RXRA P19793 1/20 0.51
CAMKK2 Q96RR4 1/20 0.51
NR1H4 Q96RI1 3/20 0.50
FTO Q9C0B1 1/20 0.50
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47
RARB P10826 1/20 0.47
LDHA P00338 1/20 0.46
ACMSD Q8TDX5 2/20 0.45
DHODH Q02127 1/20 0.45
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
HNF4A P41235 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL27537578 0.88 MCL1 (0.73) MCL1MYCNR1H4FTOEDNRB
SCHEMBL6033708 0.85 MCL1 (0.56) MCL1MYCNR1H4FTOLDHA
SCHEMBL10024228 0.85 MCL1 (0.53) MCL1RXRBMYCRXRACAMKK2
SCHEMBL9414333 0.85 MCL1 (0.53) MCL1RXRBMYCRXRACAMKK2
SCHEMBL4651517 0.85 MCL1 (0.65) MCL1MYCNR1H4FTOEDNRB
SCHEMBL10024266 0.85 ACMSD (0.65) MCL1RXRBRXRACAMKK2ACMSD
SCHEMBL28789045 0.85 MCL1 (0.65) MCL1MYCNR1H4FTOEDNRB
SCHEMBL1510071 0.85 MCL1 (0.53) MCL1RXRBMYCRXRACAMKK2
SCHEMBL7429140 0.84 MCL1 (0.55) MCL1RXRBMYCRXRACAMKK2
SCHEMBL13522888 0.83 ACMSD (0.63) MCL1RXRBRXRACAMKK2RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444225-B1 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. MERCK SERONO SA (CH) 2012-10-10 EP disclosed
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same FAS SECURED CREDITORS HOLDCO, LLC 2012-04-05 US disclosed
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
EP-1390347-B1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY SERONO LAB (CH) 2008-05-07 EP disclosed
EP-1829861-A2 Pyrrolidine ester derivatives active as oxytocin antagonists Applied Research Systems ARS Holding N.V. (AN) 2007-09-05 EP disclosed
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-06-07 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
US-7189754-B2 Pyrrolidine ester derivatives with oxytocin modulating activity APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2007-03-13 US disclosed
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDDING N.V. (NL) 2006-10-12 US disclosed
US-7115639-B2 Pyrrolidine oxadiazole- and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 US disclosed
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives MERCK SERONO SA (CH) 2004-11-04 US disclosed
US-20040147511-A1 Pyrrolidine ester derivatives with oxytocin modulating activity MERCK SERONO SA (CH) 2004-07-29 US disclosed
EP-1390347-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY Applied Research Systems ARS Holding N.V. (AN) 2004-02-25 EP disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US disclosed
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2002074741-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACITVITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2002-09-26 WO disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 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 (8 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR MCL1 4761/4885RXRB 934/4885MYC 4794/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 MCL1 4747/4885RXRB 604/4885MYC 4828/4885
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives OXTR, PRLHR, PGF MCL1 4489/4885RXRB 3014/4885MYC 4857/4885
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists OXTR, PRLHR, OXER1 MCL1 4364/4885RXRB 3394/4885MYC 4840/4885
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES OXTR, GPR6, CNR1 MCL1 4341/4885RXRB 1654/4885MYC 4693/4885
US-20040147511-A1 Pyrrolidine ester derivatives with oxytocin modulating activity OXTR, OPRL1, OPRD1 MCL1 3573/4885RXRB 1423/4885MYC 4567/4885
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same LCAT, DGAT2, SOAT2 MCL1 4030/4885RXRB 3198/4885MYC 4859/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MCL1 1152/4885RXRB 842/4885MYC 2265/4885

“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.