SCHEMBL1126891

SCHEMBL1126891

CCOC(=O)C=CCC(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
SCHEMBL6673309 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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110803994-B Synthetic method of pregabalin intermediate 3-nitromethylene-5-methyl-ethyl caproate 陕西科技大学 2023-06-30 CN claimed
CN-108997128-B Preparation method of pregabalin intermediate 3-nitromethyl-5-ethyl methylhexanoate 浙江工业大学 2021-02-02 CN claimed
CN-110803994-A Synthetic method of pregabalin intermediate 3-nitromethylene-5-methyl-ethyl hexanoate 陕西科技大学 2020-02-18 CN claimed
CN-108997128-A A kind of preparation method of pregabalin intermediate 3- nitre methyl -5- methylhexanoic acid ethyl ester 浙江工业大学 2018-12-14 CN claimed
CN-105130832-A Process for synthesizing pregabalin CHENGDU AIBIKE BIOTECHNOLOGY CO LTD 2015-12-09 CN claimed
EP-1472210-B1 METHODS FOR PRODUCING SUBSTITUTED ACRYLIC ACID ESTERS AND USE OF THE LATTER FOR PRODUCING SUBSTITUTED $G(G)-AMINO ACIDS GRUENENTHAL GMBH (DE) 2014-11-26 EP claimed
WO-2024153240-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 珠海宇繁生物科技有限责任公司 2024-07-25 WO disclosed
CN-115536524-B Preparation method of 3-isobutyl glutaric acid 常州大学 2024-05-28 CN disclosed
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
CN-110803994-B Synthetic method of pregabalin intermediate 3-nitromethylene-5-methyl-ethyl caproate 陕西科技大学 2023-06-30 CN disclosed
CN-110803994-B Synthetic method of pregabalin intermediate 3-nitromethylene-5-methyl-ethyl caproate 陕西科技大学 2023-06-30 CN disclosed
CN-115536524-A Preparation method of 3-isobutyl glutaric acid 常州大学 2022-12-30 CN disclosed
EP-3116897-B1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS INC (US) 2022-03-02 EP disclosed
US-6245801-B1 ANTIEPILEPIC AGENTS; BRAIN DISORDERS; PSYCHOLOGICLA DISORDERS WARNER-LAMBERT COMPANY 2001-06-12 US disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 US disclosed
WO-2000015611-A1 BRANCHED ALKYL PYRROLIDINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed
US-5767144-A Endothelin antagonists ABBOTT LABORATORIES (US) 1998-06-16 US disclosed
US-5731434-A CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1998-03-24 US disclosed
US-5622971-A PIPERIDINE DERIVATIVES; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1997-04-22 US disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 HCAR2 3578/4885MAPT 4748/4885ALDH1A1 4864/4885

“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.