SCHEMBL4818352

SCHEMBL4818352

COc1cc(C#Cc2ccc(C=CC(=O)O)cc2)cc2c1C(N(C)C1CC1)CCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
CYP26A1 O43174 3/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
CYP3A4 P08684 2/20 0.37
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
CRABP2 P29373 1/20 0.37
RXRA P19793 2/20 0.37
CYP26B1 Q9NR63 1/20 0.37
PKM P14618 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL4818345 1.00 FFAR1 (0.39) FFAR1CYP26A1KDM4EALDH1A1HPGD
SCHEMBL4514680 0.92 EPHX2 (0.38) CYP26A1KDM4EALDH1A1HPGDMAPK1
SCHEMBL4514676 0.92 EPHX2 (0.38) CYP26A1KDM4EALDH1A1HPGDMAPK1
SCHEMBL4508713 0.88 FFAR1 (0.39) FFAR1CYP26A1CYP3A4RARARARB
SCHEMBL4508720 0.88 FFAR1 (0.39) FFAR1CYP26A1CYP3A4RARARARB
SCHEMBL13613910 0.86 RARB (0.41) CYP26A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4516612 0.84 CYP26A1 (0.38) FFAR1CYP26A1ALDH1A1CYP3A4RARA
SCHEMBL4502496 0.83 RARB (0.38) CYP26A1CYP3A4RARARARBRARG
SCHEMBL4508295 0.83 RARB (0.38) CYP26A1CYP3A4RARARARBRARG
SCHEMBL4511698 0.81 ACACB (0.38) FFAR1CYP26A1ALDH1A1CYP3A4RARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 FFAR1 864/4885CYP26A1 4/4885KDM4E 716/4885

“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.