SCHEMBL13614074

SCHEMBL13614074

CC1(C)CC(C)(C)c2cc(-c3ccc(C(C)(C)C(=O)O)cc3)cc(O)c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.37
CYP26B1 Q9NR63 4/20 0.37
DGAT1 O75907 1/20 0.36
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
MAP4K4 O95819 1/20 0.34
APP P05067 1/20 0.33
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SGK1 O00141 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
AKR1C2 P52895 2/20 0.31
AKR1C1 Q04828 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
RXRA P19793 2/20 0.30

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
SCHEMBL4519279 0.83 RARB (0.36) CYP26A1CYP26B1DGAT1LTB4RLTB4R2
SCHEMBL13614253 0.79 PTGS2 (0.43) CYP26A1CYP26B1DGAT1APPRARB
SCHEMBL13613878 0.79 ALOX5 (0.36) CYP26A1CYP26B1DGAT1LTB4RLTB4R2
SCHEMBL13613877 0.74 LTB4R (0.39) CYP26A1CYP26B1DGAT1LTB4RLTB4R2
SCHEMBL13614076 0.73 CYP26A1 (0.43) CYP26A1CYP26B1RARARARBRARG
SCHEMBL13613840 0.73 CYP26A1 (0.33) CYP26A1CYP26B1DGAT1LTB4RLTB4R2
SCHEMBL4516149 0.72 CNR2 (0.36) CYP26A1CYP26B1RARARARBRARG
SCHEMBL13986086 0.69 CYP26A1 (0.48) CYP26A1CYP26B1DGAT1PTGS1RXRA
SCHEMBL13613847 0.68 CYP26A1 (0.35) CYP26A1CYP26B1ALOX5PTGS1PTGS2
SCHEMBL4518031 0.67 CYP26A1 (0.36) CYP26A1CYP26B1

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 10/4885DGAT1 1393/4885

“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.