SCHEMBL317392

SCHEMBL317392

CCCCOC(=O)CC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NAAA Q02083 1/20 0.50
ATM Q13315 1/20 0.47
DGKA P23743 1/20 0.45
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
RAD52 P43351 1/20 0.43
FAAH O00519 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
HTR2C P28335 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL13717269 0.98 NAAA (0.48) ALDH1A1NAAAATMDGKATSHR
SCHEMBL11590484 0.96 NAAA (0.47) ALDH1A1NAAAATMDGKATSHR
SCHEMBL10835769 0.94 NAAA (0.46) ALDH1A1NAAAATMDGKATSHR
SCHEMBL2855420 0.94 NAAA (0.59) ALDH1A1NAAADGKATSHRNPSR1
SCHEMBL10834424 0.93 DGKA (0.48) ALDH1A1NAAAATMDGKATSHR
SCHEMBL1960270 0.92 NAAA (0.62) ALDH1A1NAAADGKATSHRNPSR1
SCHEMBL1961180 0.92 NAAA (0.62) ALDH1A1NAAADGKATSHRNPSR1
SCHEMBL224044 0.92 NAAA (0.62) ALDH1A1NAAADGKATSHRNPSR1
SCHEMBL10901661 0.92 NAAA (0.62) ALDH1A1NAAADGKATSHRNPSR1
SCHEMBL1961134 0.92 NAAA (0.62) ALDH1A1NAAADGKATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346555-A1 METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE HUNAN XIANGZHONG PHARMACEUTICAL CO LTD (CN) 2025-11-13 US claimed
CN-120136757-A Synthesis method of 6-hydroxy-2-azaspiro [3.3] heptane compounds 浙江中科创越药业有限公司 2025-06-13 CN claimed
CN-115151527-B Process for the preparation of cyanoacetic esters 汉高股份有限及两合公司 2025-05-13 CN claimed
CN-119954709-A Preparation method of sulfoxide compound, aniline compound and preparation method of aniline compound 帕潘纳(北京)科技有限公司 2025-05-09 CN claimed
CN-119930468-A Synthesis method of medical cyanoacrylate adhesive with low formaldehyde residue 山东禹王和天下新材料有限公司 2025-05-06 CN claimed
WO-2025062312-A1 ONE-POT PROCESS FOR THE PREPARATION OF GABAPENTIN INTERMEDIATE GRANULES INDIA LIMITED (IN) 2025-03-27 WO claimed
CN-119661371-A Preparation method of 2-fluoro-4-methylaniline 帕潘纳(北京)科技有限公司 2025-03-21 CN claimed
US-20250038256-A1 NITRILE ADDITIVES FOR ELECTROLYTES OF BATTERIES INCLUDING LITHIUM- AND MANGANESE-RICH POSITIVE ELECTRODES GM Global Technology Operations LLC 2025-01-30 US claimed
CN-119315086-A Nitrile additives for electrolytes of batteries including lithium-rich manganese positive electrodes 通用汽车环球科技运作有限责任公司 2025-01-14 CN claimed
US-12187923-B2 Michael-addition-hardening synthetic resin for chemical fixing technology FISCHERWERKE GMBH & CO. KG (DE) 2025-01-07 US claimed
WO-2001092430-A1 SEMI-SOLID COMPOSITIONS FOR REMOVING CURED PRODUCT LOCTITE (R & D) LIMITED (IE) 2001-12-06 WO claimed
US-6136876-A SHRINKAGE INHIBITION AIR PRODUCTS AND CHEMICALS (US) 2000-10-24 US claimed
CN-1254730-A Weak Bronsted acid derivatives for improving the dimensional stability of polyurethane flexible foams AIR PROD & CHEM (US) 2000-05-31 CN claimed
EP-1002816-A2 Weak bronsted acid derivatives for improving dimensional stability of polyurethane flexible foams AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-05-24 EP claimed
US-5902896-A Process for preparing bis (hydroxymethyl) compounds HUELS AKTIENGESELLSCHAFT (DE) 1999-05-11 US claimed
EP-0612732-B1 Process for the production of (un)substituted 2-(cyanomethyl)benzimidazole HOECHST AG (DE) 1996-07-17 EP claimed
US-5510494-A REACTING AN ORTHO-PHENYLENEDIAMINE WITH A CYANOACETIC ESTER IN A HALOGEN-FREE INERT SOLVENT WITHOUT ADDING AN AROMATIC SULFONIC ACID AS CATALYST HOECHST AG (DE) 1996-04-23 US claimed
US-4900500-A Point-of-use infectious waste disposal system ISOLYSER CO., INC. (US) 1990-02-13 US claimed
US-4804715-A CROSSLINKING A POLYCYANOACETIC-FUNCTIONAL POLYMER WITH A POLY-A,B-UNSATURATED ESTER USING A METAL CARBOXYLATE CATALYST COOK PAINT AND VARNISH COMPANY (US) 1989-02-14 US claimed
CN-87102528-A A kind of synthesis technique of medium viscosity adhesive of medical 1987-12-23 CN claimed

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-20250346555-A1 METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE ADH1A, CA3, HDAC2 ALDH1A1 400/4885NAAA 154/4885ATM 4564/4885

“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.