SCHEMBL6144635

SCHEMBL6144635

CCCCOC(C(=O)OCC)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.52
HNF4A P41235 2/20 0.52
CYP26A1 O43174 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP26B1 Q9NR63 1/20 0.49
RXRB P28702 5/20 0.47
RARA P10276 6/20 0.44
RARB P10826 6/20 0.44
RARG P13631 6/20 0.44
RXRG P48443 4/20 0.43
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 3/20 0.41

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
SCHEMBL6146009 0.88 CYP26A1 (0.54) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6143656 0.88 CYP26A1 (0.54) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6145801 0.84 CYP26A1 (0.48) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6144036 0.84 CYP26A1 (0.60) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6144495 0.84 CYP26A1 (0.60) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6147485 0.84 CYP26A1 (0.60) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6144511 0.81 CYP26A1 (0.52) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6143580 0.81 CYP3A4 (0.49) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6146814 0.80 CYP26A1 (0.60) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL8839324 0.79 RXRA (0.53) RXRAHNF4ACYP26A1CYP3A4CYP26B1

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 RXRA 4/4885HNF4A 639/4885CYP26A1 474/4885

“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.