SCHEMBL9911536

SCHEMBL9911536

CC(C)Nc1ccc(CCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
FFAR1 O14842 13/20 0.55
FFAR4 Q5NUL3 2/20 0.54
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 3/20 0.51
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL21896395 0.86 FFAR1 (0.53) NPSR1FFAR1FFAR4KEAP1ALDH1A1
SCHEMBL13282267 0.86 ALDH1A1 (0.53) NPSR1FFAR1FFAR4ALDH1A1
SCHEMBL13254061 0.84 RXFP1 (0.44) NPSR1FFAR1FFAR4ALDH1A1
SCHEMBL12879860 0.83 HDAC3 (0.46) NPSR1FFAR1FFAR4ALDH1A1
SCHEMBL9911354 0.81 MEN1 (0.50) FFAR1ALDH1A1NR1H4
SCHEMBL12871186 0.80 FFAR1 (0.55) NPSR1FFAR1FFAR4KEAP1NR1H4
SCHEMBL659263 0.80 NR1H4 (0.59) FFAR1FFAR4KEAP1ALDH1A1NR1H4
SCHEMBL27396740 0.80 FFAR1 (0.50) NPSR1FFAR1FFAR4ALDH1A1NR1H4
SCHEMBL6557216 0.80 FFAR1 (0.50) NPSR1FFAR1FFAR4ALDH1A1NR1H4
SCHEMBL8915282 0.79 FFAR1 (0.60) FFAR1FFAR4KEAP1ALDH1A1NR1H4

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-9321766-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 US disclosed
US-20160096832-A1 KINASE INHIBITORS ALLERGAN, INC. 2016-04-07 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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-20160096832-A1 KINASE INHIBITORS ABL1, LCK, ERBB2 NPSR1 2450/4885FFAR1 3540/4885FFAR4 4263/4885

“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.