SCHEMBL4516180

SCHEMBL4516180

COC(=O)Cc1ccc(C#Cc2cc(O)c3c(c2)C(C)(C)CC(C)(C)O3)cc1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.34
CYP26B1 Q9NR63 3/20 0.34
FFAR1 O14842 8/20 0.34
FFAR4 Q5NUL3 7/20 0.34
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 2/20 0.31
EGFR P00533 1/20 0.31
GAA P10253 1/20 0.31
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
KDM1A O60341 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
ACACB O00763 1/20 0.30
HPGD P15428 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
SCHEMBL4528034 0.89 CYP26A1 (0.41) CYP26A1CYP26B1FFAR1FFAR4CYP3A4
SCHEMBL4841336 0.87 CYP26A1 (0.34) CYP26A1CYP26B1FFAR1FFAR4
SCHEMBL4520649 0.85 CYP26A1 (0.41) CYP26A1CYP26B1FFAR1ALDH1A1GAA
SCHEMBL4514212 0.84 CYP26A1 (0.33) CYP26A1CYP26B1KDM1A
SCHEMBL4514210 0.84 CYP26A1 (0.32) CYP26A1CYP26B1FFAR1FFAR4KDM1A
SCHEMBL5737085 0.79 CYP26A1 (0.41) CYP26A1CYP26B1FFAR1FFAR4CYP3A4
SCHEMBL5737377 0.79 CYP26A1 (0.34) CYP26A1CYP26B1FFAR1FFAR4
SCHEMBL4849342 0.77 CYP26A1 (0.40) CYP26A1CYP26B1FFAR1FFAR4
SCHEMBL5737713 0.77 AKR1B1 (0.37) CYP26A1FFAR1FFAR4KDM4EALDH1A1
SCHEMBL5736370 0.77 CYP26A1 (0.50) CYP26A1CYP26B1FFAR1FFAR4CYP3A4

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 CYP26A1 15/4885CYP26B1 10/4885FFAR1 1474/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 CYP26A1 4/4885CYP26B1 1/4885FFAR1 864/4885
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 10/4885FFAR1 1474/4885

“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.