SCHEMBL4500803

SCHEMBL4500803

CC/C(=C\c1cccc(I)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPEP1 P16444 1/20 0.47
▸ EPHX2 P34913 2/20 0.46
▸ TBXAS1 P24557 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ APP P05067 3/20 0.40
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL4500806 1.00 DPEP1 (0.47) DPEP1EPHX2TBXAS1CYP3A4CYP2C9
SCHEMBL11337078 0.88 DPEP1 (0.46) DPEP1EPHX2CYP3A4CYP2C9APP
SCHEMBL11337074 0.88 DPEP1 (0.46) DPEP1EPHX2CYP3A4CYP2C9APP
SCHEMBL14032639 0.82 EPHX2 (0.47) EPHX2TBXAS1CYP3A4CYP2C9RECQL
SCHEMBL20184163 0.82 KDM4E (0.58) EPHX2TBXAS1CYP3A4CYP2C9KDM4E
SCHEMBL6338925 0.82 KDM4E (0.58) EPHX2TBXAS1CYP3A4CYP2C9KDM4E
SCHEMBL1579813 0.82 TBXAS1 (0.48) EPHX2TBXAS1CYP3A4CYP2C9RECQL
SCHEMBL2391183 0.82 KDM4E (0.58) EPHX2TBXAS1CYP3A4CYP2C9KDM4E
SCHEMBL1579814 0.82 TBXAS1 (0.48) EPHX2TBXAS1CYP3A4CYP2C9RECQL
SCHEMBL2918640 0.81 CYP3A4 (0.63) EPHX2TBXAS1CYP3A4CYP2C9RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592478-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-22 — — US disclosed
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. 2008-09-04 — — US 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-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA DPEP1 4114/4885EPHX2 1208/4885TBXAS1 1223/4885

“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.

Send feedback