SCHEMBL4518311

SCHEMBL4518311

COC(=O)C(C)c1ccc(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.38
ACACB O00763 8/20 0.35
RARB P10826 7/20 0.35
RARG P13631 7/20 0.35
RARA P10276 6/20 0.35
CYP26A1 O43174 1/20 0.35
CYP3A4 P08684 1/20 0.35
CRABP2 P29373 1/20 0.35

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
SCHEMBL4508295 0.92 RARB (0.38) ABCB1ACACBRARBRARGRARA
SCHEMBL4517323 0.90 RARB (0.36) ABCB1ACACBRARBRARGRARA
SCHEMBL4519862 0.90 RARA (0.32) ABCB1ACACBRARBRARGRARA
SCHEMBL4511698 0.83 ACACB (0.38) ABCB1ACACBRARBRARGRARA
SCHEMBL4517699 0.82 RARB (0.35) ABCB1ACACBRARBRARGRARA
SCHEMBL4516612 0.82 CYP26A1 (0.38) ABCB1ACACBRARBRARGRARA
SCHEMBL4514680 0.81 EPHX2 (0.38) ABCB1RARBRARGRARACYP26A1
SCHEMBL4514676 0.81 EPHX2 (0.38) ABCB1RARBRARGRARACYP26A1
SCHEMBL4502496 0.81 RARB (0.38) ABCB1ACACBRARBRARGRARA
SCHEMBL4518312 0.81 ACACB (0.36) ACACBRARBRARGRARACYP26A1

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 8 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
EP-1699775-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME Allergan, Inc. (US) 2006-09-13 EP 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
WO-2005058798-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME ALLERGAN, INC. (US) 2005-06-30 WO 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 ABCB1 93/4885ACACB 410/4885RARB 595/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 ABCB1 1411/4885ACACB 809/4885RARB 11/4885
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 ABCB1 93/4885ACACB 410/4885RARB 595/4885

“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.