SCHEMBL1679684

SCHEMBL1679684

C=C(C(=O)O)c1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.72
NR1H3 Q13133 10/20 0.72
RXRA P19793 9/20 0.62
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
SRD5A2 P31213 1/20 0.40
PTGER4 P35408 2/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
PTPRC P08575 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL1678811 0.90 NR1H2 (0.67) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1679291 0.90 NR1H2 (0.78) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1678331 0.84 NR1H2 (1.00) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL5268643 0.84 NR1H2 (0.74) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1678343 0.82 NR1H2 (0.72) NR1H2NR1H3RXRAPTGER4ADAMTS4
SCHEMBL1678699 0.82 NR1H2 (0.72) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1679248 0.82 NR1H2 (0.82) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1678988 0.82 NR1H2 (0.82) NR1H2NR1H3RXRASRD5A2PTGER4
SCHEMBL1679169 0.82 NR1H2 (0.66) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1678351 0.82 NR1H2 (0.71) NR1H2NR1H3RXRAADAMTS4MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP 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 (1 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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 NR1H2 1/4885NR1H3 2/4885RXRA 5/4885

“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.