SCHEMBL7243713

SCHEMBL7243713

C=C(Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.68
RARB P10826 11/20 0.68
RARG P13631 10/20 0.68
RXRB P28702 8/20 0.68
RARA P10276 8/20 0.68
RXRG P48443 6/20 0.68
CYP26A1 O43174 5/20 0.57
CYP26B1 Q9NR63 4/20 0.57
CYP3A4 P08684 3/20 0.57
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
CRABP2 P29373 1/20 0.56

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
SCHEMBL9318594 0.86 RXRA (0.70) RXRARARBRARGRXRBRARA
SCHEMBL28518784 0.84 RXRA (0.70) RXRARARBRARGRXRBRARA
SCHEMBL9195653 0.84 CYP26A1 (0.48) RXRARARBRARGRXRBRARA
SCHEMBL6818089 0.81 RXRA (1.00) RXRARARBRARGRXRBRARA
SCHEMBL29827631 0.81 RARB (0.81) RXRARARBRARGRXRBRARA
SCHEMBL846110 0.81 RARB (0.81) RXRARARBRARGRXRBRARA
SCHEMBL9208986 0.80 RXRA (0.78) RXRARARBRARGRXRBRARA
Hydrochloric Acid SCHEMBL9120757 0.79 RARB (0.78) RXRARARBRARGRXRBRARA
SCHEMBL8839146 0.79 RXRA (0.67) RXRARARBRARGRXRBRARA
SCHEMBL10580178 0.78 CYP26A1 (0.47) RXRARARBRARGRXRBRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities KLEIN ELLIOTT S (US) 2003-11-27 US claimed
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN, INC. 2002-10-24 US claimed
EP-0853610-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES Allergan (US) 1998-07-22 EP claimed
WO-1997009297-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES VISION PHARMACEUTICALS L.P. (US) 1997-03-13 WO claimed

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-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG RXRA 1/4885RARB 7/4885RARG 4/4885
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG RXRA 1/4885RARB 7/4885RARG 4/4885

“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.