SCHEMBL4523319

SCHEMBL4523319

CC1(C)CC(C)(C)c2cc(C#Cc3ccc(C(C)(C)C(=O)O)cc3)cc(CNCC3CC3)c2O1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.34
CYP26B1 Q9NR63 3/20 0.34
ACACB O00763 1/20 0.32
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
CYP3A4 P08684 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
CRABP2 P29373 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
SCHEMBL4512939 0.91 ACACB (0.33) CYP26A1CYP26B1ACACB
SCHEMBL4521499 0.86 CYP26A1 (0.49) CYP26A1CYP26B1ACACBCYP3A4RARA
SCHEMBL4518175 0.84 CYP26A1 (0.34) CYP26A1CYP26B1ACACBCYP3A4RARA
SCHEMBL4523320 0.82 CYP26A1 (0.34) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL4502562 0.82 CYP26A1 (0.40) CYP26A1CYP26B1ACACB
SCHEMBL4517841 0.81 ACACB (0.32) CYP26A1CYP26B1ACACB
SCHEMBL4511991 0.81 CYP26A1 (0.39) CYP26A1CYP26B1
SCHEMBL4519279 0.80 RARB (0.36) CYP26A1CYP26B1LTB4RLTB4R2CYP3A4
SCHEMBL4513758 0.79 CYP26A1 (0.33) CYP26A1CYP26B1
SCHEMBL4514212 0.78 CYP26A1 (0.33) 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 6 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
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 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 (3 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-20050176689-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 10/4885ACACB 410/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 CYP26A1 4/4885CYP26B1 1/4885ACACB 809/4885
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 10/4885ACACB 410/4885

“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.