SCHEMBL6143645

SCHEMBL6143645

CC1(C)CCSc2ccc(C(Cc3ccccc3)C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.44
RARB P10826 8/20 0.44
RARG P13631 8/20 0.44
RXRA P19793 4/20 0.44
P4HTM Q9NXG6 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP26A1 O43174 1/20 0.41
PPARG P37231 2/20 0.39
SSTR5 P35346 1/20 0.38
CHRM1 P11229 3/20 0.38
KMT2A Q03164 1/20 0.38
RXRB P28702 1/20 0.38
EPHX1 P07099 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
SCHEMBL6145632 0.89 RARA (0.43) RARARARBRARGRXRACYP3A4
SCHEMBL6147959 0.84 PPARG (0.53) RARARARBRARGRXRAP4HTM
SCHEMBL6147966 0.84 PPARG (0.53) RARARARBRARGRXRAP4HTM
SCHEMBL6143563 0.81 RARA (0.42) RARARARBRARGRXRACYP3A4
SCHEMBL6144478 0.81 RARA (0.43) RARARARBRARGRXRACYP3A4
SCHEMBL6146170 0.77 RARB (0.55) RARARARBRARGRXRACYP3A4
SCHEMBL6146157 0.77 RARB (0.55) RARARARBRARGRXRACYP3A4
SCHEMBL6148050 0.77 RARB (0.55) RARARARBRARGRXRACYP3A4
SCHEMBL6145008 0.75 PPARG (0.52) RARARARBRARGRXRACYP3A4
SCHEMBL6148061 0.75 PPARG (0.52) RARARARBRARGRXRACYP3A4

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-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
US-6603012-B2 RAR selective retinoid agonists HOFFMANN-LA ROCHE INC. 2003-08-05 US disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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 (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-20020026060-A1 RAR selective retinoid agonists RARA, RARG, RARB RARA 1/4885RARB 3/4885RARG 2/4885

“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.