SCHEMBL1007428

SCHEMBL1007428

[CH2]C(O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
CYP1A2 P05177 1/20 0.50
TRPA1 O75762 2/20 0.48
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
SLC6A2 P23975 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MDM2 Q00987 1/20 0.45
TSHR P16473 1/20 0.43
LAP3 P28838 3/20 0.43

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
SCHEMBL9066089 0.86 SRR (0.49) CYP1A2PTGS1TAAR1TSHR
SCHEMBL1287678 0.83 EPHX1 (0.55) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL523308 0.82 EPHX1 (0.48) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL8780026 0.80 TRPA1 (0.54) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL351699 0.78 SLC6A2 (0.56) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL3588912 0.78 EPHX1 (0.55) EPHX1CYP1A2TRPA1ALPIPKM
Benzene SCHEMBL28818616 0.78 SLC6A2 (0.56) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL108646 0.78 TRPA1 (0.58) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL1833635 0.78 TRPA1 (0.55) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL4272251 0.77 TAAR1 (0.52) CYP1A2SLC7A5SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240052081-A1 PHOTO-CURABLE COMPOSITIONS CONTAINING HIGH REFRACTIVE INDEX MONOMERS FOR USE IN 3D PRINTING APPLICATIONS ARKEMA FRANCE (FR) 2024-02-15 US claimed
EP-4028480-A1 PHOTO-CURABLE COMPOSITIONS CONTAINING HIGH REFRACTIVE INDEX MONOMERS FOR USE IN 3D PRINTING APPLICATIONS ARKEMA FRANCE (FR) 2022-07-20 EP claimed
CN-114651049-A Photocurable compositions containing high refractive index monomers for 3D printing applications 阿科玛法国公司 2022-06-21 CN claimed
WO-2021048628-A1 PHOTO-CURABLE COMPOSITIONS CONTAINING HIGH REFRACTIVE INDEX MONOMERS FOR USE IN 3D PRINTING APPLICATIONS ARKEMA FRANCE (FR) 2021-03-18 WO claimed
CN-104961247-A Anti-scaling treatment agent for water in boiler GAO XU 2015-10-07 CN claimed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP claimed
EP-2501685-A1 [1,5]-DIAZOCIN DERIVATIVES Mellitech (FR) 2012-09-26 EP claimed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US claimed
CN-102502976-A High-efficiency scale inhibition and dispersion bactericide and preparation method thereof SHANGHAI JIUAN WATER QUALITY STABILIZER FACTORY 2012-06-20 CN claimed
CN-102372369-A Corrosion and scale inhibitor XUEMEI GE 2012-03-14 CN claimed
US-5420129-A Treatment of hypertension, ischemia, vasospasms, angina HOFFMANN-LA ROCHE INC. (US) 1995-05-30 US claimed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP claimed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP claimed
CN-1095375-A Novel sulfonamides HOFFMANN LA ROCHE (CH) 1994-11-23 CN claimed
EP-0601386-A1 Sulphonamides F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP claimed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US claimed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP claimed
US-4349549-A Anti-hypertensive 1-substituted spiro(piperidine-oxobenzoxazine)s SYNTEX (U.S.A.) INC. (US) 1982-09-14 US claimed
US-4211572-A HYDRAULIC CEMENTS, WATER RETENTIVITY PROMOTER TILE COUNCIL OF AMERICA, INC. (US) 1980-07-08 US claimed
US-4127495-A BENZYLHYDROXYETHYL CELLULOSE OR PHENYLHYDROXYETHYL HYDROXYETHYL CELLULOSE AS ANTI-REDEPOSITION ADDITIVES HERCULES INCORPORATED (US) 1978-11-28 US 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-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R EPHX1 3695/4885CYP1A2 2743/4885TRPA1 2643/4885

“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.