SCHEMBL4517141

SCHEMBL4517141

CCOC(=O)C(C)(C)c1cccc(C#Cc2ccc(CC(=O)OC)c(F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.43
FFAR4 Q5NUL3 7/20 0.43
CNR2 P34972 6/20 0.41
GRM5 P41594 2/20 0.37
PTPN1 P18031 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL13606609 0.90 FFAR1 (0.49) FFAR1FFAR4CNR2GRM5
SCHEMBL4516954 0.87 FFAR1 (0.46) FFAR1FFAR4PTPN1
SCHEMBL4501777 0.85 CNR2 (0.44) FFAR1CNR2GRM5PTPN1ACACB
SCHEMBL13606608 0.76 FFAR1 (0.52) FFAR1CNR2ACACB
SCHEMBL13614257 0.73 RXRA (0.48) CNR2
SCHEMBL4519216 0.73 CNR2 (0.49) CNR2GRM5
SCHEMBL5783107 0.72 CNR2 (0.70) CNR2GRM5
SCHEMBL4514572 0.72 CNR2 (0.53) CNR2GRM5PTPN1
SCHEMBL24171803 0.72 CNR2 (0.48) CNR2GRM5
SCHEMBL5737816 0.72 ACACB (0.42) FFAR1FFAR4ACACB

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 10 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
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 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
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B 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 FFAR1 1474/4885FFAR4 2663/4885CNR2 675/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 FFAR1 864/4885FFAR4 1363/4885CNR2 590/4885
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 FFAR1 1474/4885FFAR4 2663/4885CNR2 675/4885

“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.