SCHEMBL414791

SCHEMBL414791

CCOC(=O)c1cnco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
CYP1A2 P05177 2/20 0.42
TSHR P16473 1/20 0.41
ACACB O00763 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ESR1 P03372 1/20 0.39

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
Hydrochloric Acid SCHEMBL29099329 0.98 NAMPT (0.45) NAMPTCYP2C9CYP2C19HDAC4HDAC6
SCHEMBL28317573 0.86 ALDH1A1 (0.44) NAMPTTSHRACACBALDH1A1KMT2A
SCHEMBL29804262 0.85 HDAC4 (0.43) NAMPTCYP2C9CYP2C19HDAC4HDAC6
SCHEMBL3139874 0.79 ALDH1A1 (0.35) NAMPTTSHRACACBMEN1ALDH1A1
SCHEMBL15419308 0.77 NPC1 (0.46) CYP1A2TSHRACACBALDH1A1CA12
Hydrochloric Acid SCHEMBL28665424 0.77 CHRNA4 (0.41) CYP2C19CYP1A2TSHRACACBMEN1
SCHEMBL15465637 0.77 HDAC4 (0.40) NAMPTCYP2C9CYP2C19HDAC4HDAC6
SCHEMBL3827774 0.75 TBXAS1 (0.43) CYP2C19CYP1A2TSHRALDH1A1ADORA3
SCHEMBL23042189 0.74 CHRNA4 (0.36) CYP2C9CYP2C19ACACBALDH1A1CA12
SCHEMBL8551555 0.74 CYP1A2 (0.47) NAMPTCYP2C19CYP1A2ACACBMEN1

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 362 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058630-A Triaryl substituted vinyl compound and synthesis method thereof 海南大学 2025-05-30 CN claimed
CN-120040371-A Compound capable of degrading MYC in targeted manner and application thereof 中国医学科学院医药生物技术研究所 2025-05-27 CN claimed
US-11535833-B2 Carboxyesterase biocatalysts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-12-27 US claimed
CN-108863971-B 2- (2, 4, 6-trimethylphenylseleno) -1, 3-oxazole-5 ethyl carboxylate compound and preparation method thereof 温州医科大学 2021-06-15 CN claimed
US-20210115417-A1 CARBOXYESTERASE BIOCATALYSTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-22 US claimed
EP-3724324-A1 CARBOXYESTERASE BIOCATALYSTS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2020-10-21 EP claimed
CN-111465688-A Carboxylic acid ester enzyme catalysts 葛兰素史密斯克莱知识产权发展有限公司 2020-07-28 CN claimed
CN-106632134-B 2- (4-thiazolinone-2-imino) thiazole-5-carboxylic ester and preparation method and application thereof 湖南大学 2020-01-03 CN claimed
CN-110114358-A Novel compound and pharmacologically acceptable salt thereof 明治制果药业株式会社 2019-08-09 CN claimed
WO-2019116311-A1 CARBOXYESTERASE BIOCATALYSTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 WO claimed
CN-116507617-B 1- (2- (4-Cyclopropyl-1H-1, 2, 3-triazol-1-yl) acetyl) -4-hydroxypyrrolidine-2-carboxamide derivatives as VHL inhibitors 基因泰克公司 2026-05-22 CN disclosed
CN-122070275-A Heterocyclic compound and application thereof 成都麻沸散医药科技有限公司 2026-05-19 CN disclosed
CN-122011039-A Large-steric-hindrance triazole carbene monodentate palladium compound containing surplus N, N chelating ligand, and preparation method and application thereof 江苏科技大学 2026-05-12 CN disclosed
EP-3985001-B1 PHARMACEUTICAL COMPOSITION FOR USE IN TREATING A CANCER SERVIER LAB (FR) 2026-04-29 EP disclosed
EP-4727546-A2 PROTEOSOME COMPLEX INHIBITORS TARGETING CLPP1P2 PROTEASE The Global Alliance for TB Drug Development, Inc. (US) 2026-04-22 EP disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142801-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-12-16 WO disclosed
WO-2010111059-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
WO-2010111059-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 NAMPT 1896/4885CYP2C9 3902/4885CYP2C19 3558/4885

“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.