SCHEMBL3977494

SCHEMBL3977494

N#CC=C(C#N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
ESR1 P03372 2/20 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
SCHEMBL11065106 1.00 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL20365632 1.00 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL29904849 0.92 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL28724952 0.88 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL28444563 0.85 ESR1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL5865766 0.84 PDE4A (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL5865765 0.84 PDE4A (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL8720932 0.83 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL8720934 0.83 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL28518099 0.83 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896677-B Reversible electrochromic material with aggregation-induced emission property and preparation method thereof 浙江科技学院 2023-06-06 CN disclosed
CN-111607248-B Quinoline type lyotropic color-changing fluorescent dye, preparation method thereof and application thereof in organic solvent water content measurement 绍兴文理学院 2022-04-12 CN disclosed
CN-113896677-A Reversible force photochromic material with aggregation-induced emission property and preparation method thereof 浙江科技学院 2022-01-07 CN disclosed
CN-111607248-A Quinoline type lyotropic color-changing fluorescent dye, preparation method thereof and application thereof in organic solvent water content measurement 绍兴文理学院 2020-09-01 CN disclosed
CN-108884090-A Heterocyclic compound and the organic illuminating element for using it 喜星素材株式会社 2018-11-23 CN disclosed
CN-108368088-A Heterocyclic compound and organic light-emitting device using the same 喜星素材株式会社 2018-08-03 CN disclosed
CN-108290865-A Heterocyclic compound and use its organic luminescent device 喜星素材株式会社 2018-07-17 CN disclosed
EP-2822933-B1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES COUNCIL SCIENT IND RES (IN) 2016-12-28 EP disclosed
US-9096498-B2 CuCN-mediated one pot production of cinnamonitrile derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-04 US disclosed
US-20150031899-A1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-29 US disclosed
WO-2009058274-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058278-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC (US) 2009-05-07 WO disclosed
CN-1098842-C Organic second nonlinear optic response chromophore compound CHINESE ACAD INST CHEMISTRY (CN) 2003-01-15 CN disclosed
JP-2002193908-A 4,4-DICYANO-1-CYCLOHEXENE DERIVATIVE AND ITS PRODUCING METHOD MITSUI CHEMICALS INC 2002-07-10 JP disclosed
CN-1218804-A Organic second nonlinear optic response chromophore compound CHINESE ACAD INST CHEMISTRY (CN) 1999-06-09 CN disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
US-4480020-A Polymeric photoconductive sensitized by bis(β-cyano-β-alkoxycarbonylvinyl)benzene FUJI PHOTO FILM CO., LTD. (JP) 1984-10-30 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 (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-20150031899-A1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES NISCH, PNN, NCLN ALDH1A1 334/4885CYP1A2 1517/4885CYP2C9 1708/4885

“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.