SCHEMBL13613834

SCHEMBL13613834

CC1(C)CC2(CC2)Oc2c(C3CC3)cc(-c3ccc(/C=C(\Cl)C(=O)O)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
RARG P13631 3/20 0.31
RARB P10826 2/20 0.31
F2 P00734 2/20 0.31
F9 P00740 2/20 0.31
F10 P00742 2/20 0.31
CFD P00746 2/20 0.31
PLG P00747 2/20 0.31
PLAU P00749 2/20 0.31
PLAT P00750 2/20 0.31
F11 P03951 2/20 0.31
KLKB1 P03952 2/20 0.31
F7 P08709 2/20 0.31
RARA P10276 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
SCHEMBL13613895 0.89 CYP26A1 (0.36) CYP26A1CYP26B1RARGRARBF2
SCHEMBL13606599 0.86 CYP26A1 (0.35) CYP26A1CYP26B1RARGRARBRARA
SCHEMBL13613877 0.79 LTB4R (0.39) CYP26A1CYP26B1
SCHEMBL13613897 0.79 PTGS2 (0.39) CYP26A1CYP26B1
SCHEMBL13606598 0.76 CYP26A1 (0.35) CYP26A1CYP26B1RARGRARBRARA
SCHEMBL6754602 0.73 CYP26A1 (0.41) CYP26A1CYP26B1RARGRARBRARA
SCHEMBL4517348 0.68 CYP26A1 (0.35) CYP26A1CYP26B1
SCHEMBL4512171 0.67 RARB (0.44) CYP26A1CYP26B1RARGRARBRARA
SCHEMBL4519574 0.65 CYP26A1 (0.36) CYP26A1CYP26B1RARGRARBRARA
SCHEMBL4511877 0.65 CYP26A1 (0.36) CYP26A1CYP26B1RARGRARBRARA

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 10/4885RARG 546/4885

“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.