SCHEMBL6673309

SCHEMBL6673309

CCOC(=O)/C=C\CC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.46
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 3/20 0.36
MDM2 Q00987 2/20 0.36
TSHR P16473 1/20 0.36
MDM4 O15151 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL28541 1.00 HCAR2 (0.52) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL1126891 1.00 HCAR2 (0.52) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL19125009 0.86 HCAR2 (0.47) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL265410 0.86 MAPT (0.50) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL15508254 0.86 MAPT (0.50) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL14212858 0.86 MAPT (0.50) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL29142926 0.85 MAPT (0.46) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL4195651 0.84 MAPT (0.49) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL3113307 0.84 MAPT (0.49) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL3113308 0.84 MAPT (0.49) HCAR2MAPTALDH1A1TTRDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355542-A1 UNIVERSAL METHYLATION PROFILING METHODS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-08 US disclosed
EP-1112253-B1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER LAMBERT CO (US) 2004-10-20 EP disclosed
EP-1112253-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
US-6245801-B1 ANTIEPILEPIC AGENTS; BRAIN DISORDERS; PSYCHOLOGICLA DISORDERS WARNER-LAMBERT COMPANY 2001-06-12 US disclosed
WO-2000015611-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO 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-20160355542-A1 UNIVERSAL METHYLATION PROFILING METHODS DNMT1, DNMT3A, DNMT3B HCAR2 3853/4885MAPT 3925/4885ALDH1A1 1498/4885

“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.