SCHEMBL2484301

SCHEMBL2484301

COC(=O)c1cc(C(=O)O)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PTPN1 P18031 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
PTGER4 P35408 1/20 0.48
CDC25B P30305 3/20 0.48
TSHR P16473 1/20 0.47
GLA P06280 2/20 0.45
PLIN1 O60240 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
PLIN5 Q00G26 1/20 0.45
MCL1 Q07820 1/20 0.45
ABHD5 Q8WTS1 1/20 0.45

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
SCHEMBL15936293 0.90 ALDH1A1 (0.58) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL3946512 0.87 TSHR (0.52) KDM4EALDH1A1HPGDNPSR1PTPN1
SCHEMBL18320804 0.86 ALDH1A1 (0.54) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL29406969 0.83 PTPN1 (0.65) KDM4EALDH1A1HPGDPTPN1KMT2A
SCHEMBL70654 0.83 PTPN1 (0.65) KDM4EALDH1A1HPGDPTPN1KMT2A
SCHEMBL8070104 0.83 PTPN1 (0.71) KDM4EALDH1A1HPGDNPSR1PTPN1
SCHEMBL1878835 0.81 PTPN1 (0.62) KDM4EALDH1A1HPGDPTPN1KMT2A
Hydrochloric Acid SCHEMBL10337056 0.81 PTPN1 (0.62) KDM4EALDH1A1HPGDPTPN1KMT2A
Hydrochloric Acid SCHEMBL17667161 0.81 PTPN1 (0.62) KDM4EALDH1A1HPGDPTPN1KMT2A
Water SCHEMBL3833109 0.81 PTPN1 (0.62) KDM4EALDH1A1HPGDPTPN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114408-B1 SUBSTITUTED AMINOPYRIMIDINES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-10-12 EP disclosed
US-20100113492-A1 Substituted Aminopyrimidines as Cholecystokinin-1 Receptor Modulators MERCK & CO., INC. (US) 2010-05-06 US disclosed
EP-2114408-A1 SUBSTITUTED AMINOPYRIMIDINES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-11-11 EP disclosed
US-7582663-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-01 US disclosed
WO-2008091631-A1 SUBSTITUTED AMINOPYRIMIDINES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-07-31 WO disclosed
US-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2008-03-20 US disclosed
US-7285568-B2 Biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-10-23 US disclosed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 US disclosed
EP-1567509-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-08-31 EP disclosed
WO-2004048351-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-10 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-20080070957-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD KDM4E 3167/4885ALDH1A1 531/4885HPGD 663/4885
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD KDM4E 3878/4885ALDH1A1 682/4885HPGD 508/4885
US-20100113492-A1 Substituted Aminopyrimidines as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GLP1R KDM4E 3052/4885ALDH1A1 4345/4885HPGD 2553/4885

“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.