SCHEMBL13613907

SCHEMBL13613907

Cc1cc2c(cc1-c1ccc(C(C)(C)C(=O)O)cc1)C(C)(C)CCC2N(C)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.41
CYP26B1 Q9NR63 2/20 0.41
RXRA P19793 6/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 1/20 0.40
APP P05067 1/20 0.35
RARG P13631 4/20 0.35
RARB P10826 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
RARA P10276 1/20 0.33
MAP4K4 O95819 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
SGK1 O00141 1/20 0.31

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
SCHEMBL13613842 0.86 CYP26A1 (0.39) CYP26A1CYP26B1RXRARXRBAPP
SCHEMBL4501895 0.83 CYP26A1 (0.39) CYP26A1CYP26B1RXRARARGRARB
SCHEMBL4813810 0.79 RARB (0.41) CYP26A1CYP26B1RXRARXRBRARG
SCHEMBL13613841 0.78 CYP26A1 (0.36) CYP26A1CYP26B1RXRARXRBAPP
SCHEMBL13613843 0.77 RARG (0.37) CYP26A1CYP26B1RXRARXRBAPP
SCHEMBL13613908 0.76 CYP26A1 (0.36) CYP26A1CYP26B1RXRARXRBAPP
SCHEMBL4503029 0.73 CYP26A1 (0.32) CYP26A1CYP26B1RARGRARBCYP3A4
SCHEMBL4517765 0.72 RARB (0.35) CYP26A1CYP26B1RARGRARBCYP3A4
SCHEMBL4502474 0.70 RARB (0.35) CYP26A1CYP26B1RARGRARBCYP3A4
SCHEMBL4502496 0.70 RARB (0.38) CYP26A1CYP26B1RXRARARGRARB

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-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 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-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 CYP26A1 15/4885CYP26B1 10/4885RXRA 351/4885

“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.