SCHEMBL13613847

SCHEMBL13613847

CN(Cc1cc(-c2ccc(C(F)(F)C(=O)O)cc2)cc2c1OC(C)(C)CC2(C)C)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.35
CYP26B1 Q9NR63 2/20 0.35
MCHR1 Q99705 12/20 0.34
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
AKR1B1 P15121 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
SCHEMBL13613878 0.90 ALOX5 (0.36) CYP26A1CYP26B1MCHR1ALOX5PTGS1
SCHEMBL13613851 0.88 CYP26A1 (0.35) CYP26A1CYP26B1ALOX5PTGS1PTGS2
SCHEMBL13986034 0.84 CYP26B1 (0.51) CYP26A1CYP26B1ALOX5PTGS1PTGS2
SCHEMBL14524821 0.83 PTGS2 (0.36) CYP26A1CYP26B1ALOX5PTGS1PTGS2
SCHEMBL13986015 0.81 CYP26A1 (0.40) CYP26A1CYP26B1ALOX5PTGS1PTGS2
SCHEMBL4523320 0.77 CYP26A1 (0.34) CYP26A1CYP26B1ALOX5PTGS1PTGS2
SCHEMBL4517390 0.72 ABCB11 (0.42) CYP26A1CYP26B1ALOX5PTGS1PTGS2
SCHEMBL4512937 0.71 CYP26A1 (0.31) CYP26A1CYP26B1ALOX5PTGS1PTGS2
SCHEMBL4521493 0.71 CYP26A1 (0.49) CYP26A1CYP26B1AKR1B1
SCHEMBL4511996 0.70 CYP26A1 (0.39) CYP26A1CYP26B1AKR1B1

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 3 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

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 10/4885MCHR1 742/4885

“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.