SCHEMBL6718909

SCHEMBL6718909

COc1cccc(C(=O)O)c1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.56
FABP3 P05413 1/20 0.56
FABP5 Q01469 1/20 0.56
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
APOB P04114 2/20 0.47
MTTP P55157 2/20 0.47
GRIK1 P39086 1/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 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
SCHEMBL28977089 0.89 APOB (0.50) FABP4FABP3FABP5LMNAAPOB
SCHEMBL5845535 0.87 FABP4 (0.70) FABP4FABP3FABP5HTTCA12
SCHEMBL4983522 0.86 FABP3 (0.57) FABP4FABP3FABP5HTTCA12
SCHEMBL4988220 0.86 FABP3 (0.57) FABP4FABP3FABP5HTTCA12
SCHEMBL6695055 0.85 FABP3 (0.53) FABP4FABP3FABP5HTTCA12
SCHEMBL7463326 0.83 FABP3 (0.55) FABP4FABP3FABP5HTTCA12
SCHEMBL3230990 0.82 FABP3 (0.53) FABP4FABP3FABP5HTTLMNA
SCHEMBL6501691 0.81 FABP3 (0.52) FABP4FABP3FABP5HTTCA12
SCHEMBL3282245 0.80 CA12 (0.46) FABP4LMNACA12CA1CA2
SCHEMBL6804369 0.79 MYC (0.54) FABP4HTTLMNAAPOBMTTP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
US-20040121998-A1 CRF antagonistic quino- and quinazolines NEUROCRINE BIOSCIENCES, INC. 2004-06-24 US disclosed
EP-0977737-B1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
US-6610678-B2 Corticotropin-releasing factor antagonists; treating endocrine, psychiatric or neurologic disorders HUANG CHARLES (US) 2003-08-26 US disclosed
US-20030119818-A1 CRF antagonistic quino-and quinazolines HUANG CHARLES (US) 2003-06-26 US disclosed
US-6482836-B1 CRF antagonistic quino- and quinazolines JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-19 US disclosed
EP-0977737-A1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2000-02-09 EP disclosed
WO-1998047874-A1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-29 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 (3 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-20030119818-A1 CRF antagonistic quino-and quinazolines CRHR1, HTR6, CRH FABP4 3427/4885FABP3 2463/4885FABP5 3038/4885
US-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 FABP4 1206/4885FABP3 605/4885FABP5 1103/4885
US-20040121998-A1 CRF antagonistic quino- and quinazolines CRHR1, HTR6, CRH FABP4 3427/4885FABP3 2463/4885FABP5 3038/4885

“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.