SCHEMBL6143580

SCHEMBL6143580

CCOC(=O)C(Oc1ccc(C)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
CYP26A1 O43174 2/20 0.49
CYP26B1 Q9NR63 2/20 0.49
RXRA P19793 4/20 0.44
RXRB P28702 2/20 0.44
RARA P10276 6/20 0.44
RARB P10826 6/20 0.44
RARG P13631 6/20 0.44
PPARG P37231 4/20 0.41
RXRG P48443 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6146651 0.83 CYP26A1 (0.58) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6146648 0.83 CYP26A1 (0.58) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6144635 0.81 RXRA (0.52) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6145801 0.80 CYP26A1 (0.48) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839324 0.79 RXRA (0.53) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6144812 0.79 CYP3A4 (0.46) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6144815 0.79 CYP3A4 (0.46) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6146733 0.78 RXRA (0.49) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8839138 0.78 RXRA (0.49) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL6144255 0.76 CYP26A1 (0.54) CYP3A4CYP26A1CYP26B1RXRARXRB

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 CYP3A4 2129/4885CYP26A1 474/4885CYP26B1 923/4885

“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.