SCHEMBL13614093

SCHEMBL13614093

CN(c1cccc(-c2ccc(/C=C/C(=O)O)cc2)c1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.45
GAA P10253 1/20 0.43
HDAC2 Q92769 2/20 0.41
HCAR2 Q8TDS4 2/20 0.41
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
BCHE P06276 1/20 0.40
TRPM8 Q7Z2W7 3/20 0.40
ESR1 P03372 2/20 0.39

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
SCHEMBL4513984 0.82 FFAR1 (0.57) GAAHDAC2HCAR2HDAC3TNKS
SCHEMBL4513979 0.82 FFAR1 (0.57) GAAHDAC2HCAR2HDAC3TNKS
SCHEMBL13613846 0.80 BCHE (0.50) RARBBCHE
SCHEMBL2085839 0.78 PKM (0.58) RARBGAANR1H4PKMKDM4E
SCHEMBL2085375 0.78 RARB (0.43) RARBGAAHDAC2HDAC3HDAC4
SCHEMBL2085838 0.78 PKM (0.58) RARBGAANR1H4PKMKDM4E
SCHEMBL2085378 0.78 RARB (0.43) RARBGAAHDAC2HDAC3HDAC4
SCHEMBL846444 0.76 TRPM8 (0.52) RARBHDAC2HCAR2HDAC3TNKS
SCHEMBL879469 0.76 TRPM8 (0.52) RARBHDAC2HCAR2HDAC3TNKS
SCHEMBL13613883 0.76 GAA (0.43) RARBGAAHDAC2HCAR2HDAC3

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 4 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

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 RARB 595/4885GAA 904/4885HDAC2 1961/4885

“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.