SCHEMBL13613877

SCHEMBL13613877

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.39
LTB4R2 Q9NPC1 4/20 0.39
CYP26A1 O43174 3/20 0.37
CYP26B1 Q9NR63 2/20 0.37
DGAT1 O75907 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
MAP4K4 O95819 1/20 0.31
SSTR5 P35346 1/20 0.31
PTGS2 P35354 1/20 0.31
APP P05067 1/20 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
SCHEMBL4519574 0.85 CYP26A1 (0.36) LTB4RLTB4R2CYP26A1CYP26B1DGAT1
SCHEMBL13613897 0.82 PTGS2 (0.39) LTB4RLTB4R2CYP26A1CYP26B1PTGS2
SCHEMBL13613895 0.80 CYP26A1 (0.36) CYP26A1CYP26B1CYP3A4
SCHEMBL13613834 0.79 CYP26A1 (0.36) CYP26A1CYP26B1
SCHEMBL6754602 0.76 CYP26A1 (0.41) CYP26A1CYP26B1CYP3A4CYP2C9PTGS2
SCHEMBL4521123 0.75 CYP26A1 (0.33) CYP26A1CYP26B1CYP3A4
SCHEMBL13614074 0.74 CYP26A1 (0.37) LTB4RLTB4R2CYP26A1CYP26B1DGAT1
SCHEMBL13613841 0.71 CYP26A1 (0.36) LTB4RLTB4R2CYP26A1CYP26B1CYP3A4
SCHEMBL13613878 0.70 ALOX5 (0.36) LTB4RLTB4R2CYP26A1CYP26B1DGAT1
SCHEMBL13613840 0.69 CYP26A1 (0.33) LTB4RLTB4R2CYP26A1CYP26B1DGAT1

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 LTB4R 1288/4885LTB4R2 1084/4885CYP26A1 15/4885

“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.