SCHEMBL13613837

SCHEMBL13613837

CCC(C)N(C)Cc1cc(-c2ccc(CC(=O)O)cc2)cc2c1OC(C)(C)CC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 8/20 0.49
CYP26B1 Q9NR63 7/20 0.49
RXRA P19793 6/20 0.39
RXRB P28702 6/20 0.39
RXRG P48443 6/20 0.39
ABCC4 O15439 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.32
HTT P42858 1/20 0.32
F2 P00734 1/20 0.31
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
CFD P00746 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
F11 P03951 1/20 0.31
KLKB1 P03952 1/20 0.31

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
SCHEMBL13614254 0.88 CYP26A1 (0.39) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL13614255 0.87 PTGS2 (0.38) CYP26A1CYP26B1PTGS1
SCHEMBL13986034 0.83 CYP26B1 (0.51) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL14223679 0.79 CYP26A1 (0.54) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL13613902 0.77 CYP26A1 (0.49) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL13986018 0.75 CYP26A1 (0.54) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL13613901 0.75 CYP26A1 (0.48) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL14224011 0.74 CYP26A1 (0.51) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL14223850 0.73 CYP26A1 (0.45) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL7548008 0.73 CYP26A1 (0.59) CYP26A1CYP26B1RXRARXRBRXRG

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-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

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-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 10/4885RXRA 351/4885

“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.