SCHEMBL4184920

SCHEMBL4184920

CCOC(=O)C=CC(C)(C)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.50
MAPT P10636 5/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TTR P02766 1/20 0.37
DPP4 P27487 1/20 0.37
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
MDM2 Q00987 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4184914 1.00 HCAR2 (0.50) HCAR2MAPTCA12CA1CA2
SCHEMBL32684607 0.82 HCAR2 (0.48) HCAR2MAPTCA12CA1CA2
SCHEMBL1879178 0.81 HCAR2 (0.56) HCAR2MAPTCA12CA1CA2
SCHEMBL3594049 0.81 HCAR2 (0.56) HCAR2MAPTCA12CA1CA2
SCHEMBL24219837 0.81 HCAR2 (0.47) HCAR2MAPTCA12CA1CA2
SCHEMBL31534657 0.81 HCAR2 (0.47) HCAR2MAPTCA12CA1CA2
SCHEMBL31534655 0.81 HCAR2 (0.47) HCAR2MAPTCA12CA1CA2
SCHEMBL5982625 0.81 HCAR2 (0.47) HCAR2MAPTCA12CA1CA2
SCHEMBL5982620 0.81 HCAR2 (0.47) HCAR2MAPTCA12CA1CA2
SCHEMBL23666175 0.79 HCAR2 (0.54) HCAR2MAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112134-B1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them SYNDROMEX LTD (IL) 2013-10-30 EP disclosed
EP-2112134-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them Syndromex Ltd. (IL) 2009-10-28 EP disclosed
EP-0988274-B1 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNDROMEX LTD (IL) 2009-05-20 EP disclosed
US-6800772-B2 FOR TREATING HYPERLIPIDEMIA, OBESITY AND IMPAIRED GLUCOSE TOLERANCE/NONINSULIN DEPENDENT DIABETES MELLITUS WITHOUT AFFECTING ENERGY METABOLISM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-10-05 US disclosed
US-20040132818-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them SYNDROMEX LTD. (IL) 2004-07-08 US disclosed
US-20020049345-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them SYNDROMEX LTD. (IL) 2002-04-25 US disclosed
US-6284903-B1 TREATING HYPERLIPIDEMIA, OBESITY AND IMPAIRED GLUCOSE TOLERANCE/NONINSULIN DEPENDENT DIABETES MELLITUS WITHOUT ADVERSELY AFFECTING ENERGY METABOLISM YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-09-04 US disclosed
EP-0988274-A4 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RES DEV CO (IL) 2000-10-18 EP disclosed
EP-0988274-A1 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2000-03-29 EP disclosed
WO-1998030530-A1 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-07-16 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 (2 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-20040132818-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them CYP2F1, QPCT, CBR3 HCAR2 91/4885MAPT 3942/4885CA12 126/4885
US-20020049345-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them CYP2F1, QPCT, CYP2D6 HCAR2 95/4885MAPT 4005/4885CA12 118/4885

“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.