SCHEMBL4137860

SCHEMBL4137860

COc1ccc(-c2ccc(C(=O)O)c(C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
RXRB P28702 2/20 0.55
RXRA P19793 2/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
RARB P10826 1/20 0.52
HTT P42858 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 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
SCHEMBL2362590 0.89 RARB (0.71) SMN1; SMN2ALDH1A1RARBPDE4APDE4B
SCHEMBL7330690 0.86 SMN1; SMN2 (0.58) SMN1; SMN2RXRACA1CA2KDM4E
SCHEMBL634335 0.85 HTT (0.65) SMN1; SMN2CA1CA2KDM4EALDH1A1
SCHEMBL28602602 0.85 DHODH (0.55) SMN1; SMN2RXRBRXRAKDM4EALDH1A1
SCHEMBL29771992 0.85 RXRB (0.70) RXRBRXRAKDM4ERXFP1RARB
SCHEMBL1498034 0.85 RXRB (0.70) RXRBRXRAKDM4ERXFP1RARB
Ammonia Solution, Strong SCHEMBL28108457 0.84 HTT (0.63) SMN1; SMN2CA1CA2KDM4EALDH1A1
SCHEMBL28662068 0.83 HSD17B10 (0.65) RXRBRXRAKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4365452 0.83 RXRB (0.68) RXRBRXRAKDM4ERXFP1RARB
Hydrochloric Acid SCHEMBL9150803 0.83 RXRB (0.68) RXRBRXRAKDM4ERXFP1RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090227565-A1 Biphenyl Vasopressin Agonists WYETH (US) 2009-09-10 US disclosed
US-7465722-B2 Biphenyl vasopressin agonists WYETH (US) 2008-12-16 US disclosed
US-7223752-B2 Biphenyl vasopressin agonists WYETH (US) 2007-05-29 US disclosed
EP-1381370-B1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH CORP (US) 2007-03-07 EP disclosed
US-20060276456-A1 Biphenyl vasopressin agonists WYETH (US) 2006-12-07 US disclosed
US-6903091-B2 Biphenyl vasopressin agonists WYETH (US) 2005-06-07 US disclosed
US-20050075328-A1 Biphenyl vasopressin agonists WYETH (US) 2005-04-07 US disclosed
EP-1381370-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS Wyeth (US) 2004-01-21 EP disclosed
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 US disclosed
WO-2002083145-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH (US) 2002-10-24 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 (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-20090227565-A1 Biphenyl Vasopressin Agonists AVPR2, AVPR1B, SSTR3 SMN1; SMN2 2652/4885RXRB 2126/4885RXRA 2666/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 SMN1; SMN2 2652/4885RXRB 2126/4885RXRA 2666/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A SMN1; SMN2 2184/4885RXRB 2149/4885RXRA 2771/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 SMN1; SMN2 2652/4885RXRB 2126/4885RXRA 2666/4885
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same LCAT, DGAT2, SOAT2 SMN1; SMN2 3908/4885RXRB 3198/4885RXRA 3267/4885

“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.