SCHEMBL4516167

SCHEMBL4516167

CC(C)(C)COC(=O)c1cc(C#Cc2ccc(CC(=O)O)cc2)cc2c1OC(C)(C)CC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 11/20 0.44
CYP26B1 Q9NR63 9/20 0.44
FFAR1 O14842 2/20 0.36
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
CYP3A4 P08684 1/20 0.33
CRABP2 P29373 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL4514919 0.91 CYP26A1 (0.36) CYP26A1CYP26B1RARARARBRARG
SCHEMBL4519053 0.89 CYP26A1 (0.46) CYP26A1CYP26B1FFAR1RARARARB
SCHEMBL13613904 0.86 CYP26A1 (0.46) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL4511935 0.86 CYP26A1 (0.33) CYP26A1CYP26B1
SCHEMBL4516236 0.85 CYP26A1 (0.46) CYP26A1CYP26B1FFAR1RARARARB
SCHEMBL13606647 0.85 CYP26A1 (0.50) CYP26A1CYP26B1FFAR1RARARARB
SCHEMBL4518866 0.81 CYP26A1 (0.32) CYP26A1CYP26B1
SCHEMBL4516021 0.80 CYP26A1 (0.37) CYP26A1CYP26B1RARARARBRARG
SCHEMBL5737183 0.80 CYP26A1 (0.56) CYP26A1CYP26B1FFAR1RARARARB
SCHEMBL4850944 0.78 CYP26A1 (0.49) CYP26A1CYP26B1FFAR1RARARARB

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-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-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-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-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 10/4885FFAR1 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.