SCHEMBL14212730

SCHEMBL14212730

CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4oc(/C=C/C(=O)O)cc43)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 1.00
RARA P10276 2/20 0.50
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
CYP26A1 O43174 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP26B1 Q9NR63 1/20 0.42

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
SCHEMBL5356750 1.00 RXRA (1.00) RXRARARARARBRARGCYP26A1
SCHEMBL5356754 1.00 RXRA (1.00) RXRARARARARBRARGCYP26A1
SCHEMBL29503658 1.00 RXRA (1.00) RXRARARARARBRARGCYP26A1
SCHEMBL5361615 0.85 RXRA (0.74) RXRARARARARBRARG
SCHEMBL5356973 0.85 RXRA (1.00) RXRARARARARBRARGCYP26A1
SCHEMBL5356964 0.85 RXRA (1.00) RXRARARARARBRARGCYP26A1
SCHEMBL13752411 0.83 RXRA (0.72) RXRARARARARBRARGCYP26A1
SCHEMBL5361755 0.82 RXRA (1.00) RXRARARARARBRARGCYP26A1
SCHEMBL5359410 0.82 RXRA (1.00) RXRARARARARBRARGCYP26A1
SCHEMBL5361764 0.82 RXRA (1.00) RXRARARARARBRARGCYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536276-B1 NOVEL BEXAROTENE ANALOGS UNIV ARIZONA (US) 2016-11-23 EP disclosed
US-9174917-B2 Bexarotene analogs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-03 US disclosed
US-9174917-B2 Bexarotene analogs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-03 US disclosed
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2012-12-06 US disclosed
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2012-12-06 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-20120309833-A1 NOVEL BEXAROTENE ANALOGS TBXA2R, ENPP2, CXCL8 RXRA 14/4885RARA 113/4885RARB 49/4885

“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.