SCHEMBL13613909

SCHEMBL13613909

C=Cc1cc(-c2ccc(CC(=O)O)cc2)cc2c1C(N(C)C1CC1)CCC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.41
RXRB P28702 6/20 0.41
RXRG P48443 6/20 0.41
CYP26B1 Q9NR63 9/20 0.38
CYP26A1 O43174 11/20 0.37
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
HRH3 Q9Y5N1 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
SCHEMBL4521262 0.86 CYP26B1 (0.37) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL13613856 0.85 RXRA (0.43) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL13613947 0.85 RXRA (0.43) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL13613911 0.82 RXRA (0.45) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL13613893 0.81 RXRA (0.41) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL4513545 0.77 CYP26A1 (0.31) CYP26A1
SCHEMBL13613956 0.76 ALDH1A1 (0.37) RXRARXRBRXRGCYP26B1LMNA
SCHEMBL13613919 0.74 RXRA (0.44) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL13613918 0.73 RXRA (0.36) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL13613912 0.73 RXRA (0.46) RXRARXRBRXRGCYP26B1CYP26A1

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 RXRA 351/4885RXRB 407/4885RXRG 335/4885

“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.