SCHEMBL3946512

SCHEMBL3946512

COC(=O)c1cc(C(=O)O)c2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
CDC25B P30305 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PTPN1 P18031 2/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GPR84 Q9NQS5 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 1/20 0.46

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) TSHRALDH1A1KDM4EHPGDNPSR1
SCHEMBL2484301 0.87 KDM4E (0.55) TSHRALDH1A1KDM4EHPGDCDC25B
SCHEMBL19358734 0.86 ALDH1A1 (0.50) TSHRALDH1A1KDM4EHPGDCDC25B
SCHEMBL70654 0.83 PTPN1 (0.65) ALDH1A1KDM4EHPGDCDC25BPTPN1
SCHEMBL29406969 0.83 PTPN1 (0.65) ALDH1A1KDM4EHPGDCDC25BPTPN1
Hydrochloric Acid SCHEMBL17667161 0.81 PTPN1 (0.62) ALDH1A1KDM4EHPGDCDC25BPTPN1
Hydrochloric Acid SCHEMBL10337056 0.81 PTPN1 (0.62) ALDH1A1KDM4EHPGDCDC25BPTPN1
Water SCHEMBL3833109 0.81 PTPN1 (0.62) ALDH1A1KDM4EHPGDCDC25BPTPN1
SCHEMBL1878835 0.81 PTPN1 (0.62) ALDH1A1KDM4EHPGDCDC25BPTPN1
SCHEMBL161775 0.80 ALDH1A1 (0.50) TSHRALDH1A1KDM4EHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106231900-B Compound and its application method 阿吉奥斯制药公司 2019-05-28 CN disclosed
CN-106231900-A Compound and using method thereof 阿吉奥斯制药公司 2016-12-14 CN disclosed
CN-105189481-A Pyridine cdk9 kinase inhibitors ABBVIE INC 2015-12-23 CN 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
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 (2 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 TSHR 312/4885ALDH1A1 531/4885KDM4E 3167/4885
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD TSHR 223/4885ALDH1A1 682/4885KDM4E 3878/4885

“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.