SCHEMBL40562

SCHEMBL40562

COC(=O)c1cccc(CC#N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
CYP4F2 P78329 2/20 0.62
CYP4A11 Q02928 2/20 0.62
SLC7A5 Q01650 1/20 0.55
MRGPRX4 Q96LA9 3/20 0.53
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
HIF1A Q16665 1/20 0.49
FOLH1 Q04609 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
ENPP2 Q13822 1/20 0.46
ABHD6 Q9BV23 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL29539688 1.00 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL7276383 0.85 LOXL2 (0.66) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL1198816 0.84 CYP4F2 (0.61) LOXL2CYP4F2CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL2849191 0.84 CYP4F2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL14049769 0.84 NAMPT (0.52) LOXL2CYP4F2CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL28857189 0.84 ENPP2 (0.46) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL21936783 0.84 LOXL2 (0.64) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL2932991 0.83 SLC7A5 (0.58) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL13898526 0.83 CA12 (0.47) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL935888 0.83 CA12 (0.47) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306629-A Preparation method of m-cyanomethyl benzoate 甘肃汉隆化工有限公司 2025-01-14 CN claimed
CN-221674259-U Reaction kettle for preparing m-cyanomethyl benzoate 云南衡楚药业有限公司 2024-09-10 CN claimed
CN-116143656-A Preparation method of m-cyano methyl benzoate 湖北仙盛科技股份有限公司 2023-05-23 CN claimed
CN-116037038-A Reaction kettle for preparing m-cyanomethyl benzoate 安庆市鑫琪精细化工有限公司 2023-05-02 CN claimed
CN-114805120-A Synthesis process of m-cyanomethyl benzoate 江苏瑞达环保科技有限公司 2022-07-29 CN claimed
CN-212092223-U Reation kettle is used in preparation of metacyanomethyl benzoic acid methyl ester 上海微巨实业有限公司 2020-12-08 CN claimed
CN-111777528-A Preparation method of m-cyanomethyl benzoate 湖北仙盛科技股份有限公司 2020-10-16 CN claimed
CN-111675631-A Synthesis process of cyano ketoprofen 湖北仙盛科技股份有限公司 2020-09-18 CN claimed
EP-0525506-B2 A process for the alpha-monoalkylation of arylacetonitriles, arylacetoesters and arylacetic acids TESSENDERLO CHEM NV (BE) 1999-03-17 EP claimed
EP-0525506-A2 A process for the alpha-monoalkylation of arylacetonitriles, arylacetoesters and arylacetic acids TESSENDERLO CHEMIE N.V. (BE) 1993-02-03 EP claimed
US-20260108482-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2026-04-23 US disclosed
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 EP disclosed
US-20250346616-A1 ROCK INHIBITORS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2025-11-13 US disclosed
US-20250332137-A1 HIGHLY WATER-SOLUBLE SALTS OF A SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKER AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2025-10-30 US disclosed
US-20250195462-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC (CA) 2025-06-19 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO disclosed
US-5523302-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-04 US disclosed
US-5278333-A Heat treatment TESSENDERLO CHEMIE N.V. (BE) 1994-01-11 US disclosed
EP-0525506-A2 A process for the alpha-monoalkylation of arylacetonitriles, arylacetoesters and arylacetic acids TESSENDERLO CHEMIE N.V. (BE) 1993-02-03 EP disclosed
US-4568377-A IMPROVED CROP SAFETY CHEVRON RESEARCH COMPANY (US) 1986-02-04 US 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 (4 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-20250346616-A1 ROCK INHIBITORS AND USES THEREOF ROCK1, ROCK2, RHOA LOXL2 1086/4885CYP4F2 1873/4885CYP4A11 452/4885
US-20260108482-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 LOXL2 2908/4885CYP4F2 940/4885CYP4A11 361/4885
US-20250332137-A1 HIGHLY WATER-SOLUBLE SALTS OF A SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKER AND USES THEREOF TRPV1, KCNN1, KCNN3 LOXL2 3808/4885CYP4F2 3647/4885CYP4A11 1819/4885
US-20250195462-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF ORAI1, ATP2A1, RYR2 LOXL2 3496/4885CYP4F2 3383/4885CYP4A11 2712/4885

“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.