SCHEMBL2875595

SCHEMBL2875595

COc1ccccc1[N+]#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 5/20 0.44
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ENPP2 Q13822 1/20 0.41
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 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
Hydrochloric Acid SCHEMBL8501240 0.98 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL10935641 0.98 CA1 (0.52) CA1CA2CA7CA9CA12
Fluoride Ion SCHEMBL28269841 0.96 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL2687596 0.92 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL27698172 0.92 CA1 (0.46) CA1CA2CA7CA9CA12
Sulfuric Acid SCHEMBL27905058 0.88 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL11391039 0.88 CA1 (0.43) CA1CA2CA7CA9CA12
Sulfuric Acid SCHEMBL27905057 0.88 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL10878789 0.88 CA1 (0.43) CA1CA2CA7CA9CA12
Phosphoric Acid SCHEMBL28121866 0.87 CTSD (0.42) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4289839-A BLOCKED COUPLER LIBERATED BY PHOTOCHEMICALLY FORMED ACID JAMES RIVER GRAPHICS, INC. (US) 1981-09-15 US claimed
US-4252884-A DIAZONIUM SALT, BLOCKED PHENOLIC COUPLER JAMES RIVER GRAPHICS, INC. (US) 1981-02-24 US claimed
EP-4513392-A1 METHOD FOR GENERATING AN OBJECT STATUS CLASSIFIER, METHOD FOR CLASSIFYING THE OBJECT STATUS, MOBILE CLIENT DEVICE FOR OBTAINING A SET OF DATA ASSOCIATED WITH AN OBJECT WHICH STATUS IS TO BE CLASSIFIED, OBJECT STATUS CLASSIFICATION DEVICE, OBJECT STATUS CLASSIFICATION SYSTEM, COMPUTER-READABLE DATA CARRIERS AND DIAGNOSTIC TOOL SkyLab AG (CH) 2025-02-26 EP disclosed
CN-113024430-A Process for converting substituted arylamines to arylazomethylsulfones 天津师范大学 2021-06-25 CN disclosed
CN-110357827-A 2,3,5, 6-tetrasubstituted-3H-1, 2, 4-triazine derivative and synthetic method thereof 南京师范大学 2019-10-22 CN disclosed
WO-2019135176-A1 ADHESIVE TAPE 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-07-11 WO disclosed
CN-108375877-A Urethanes, curable with actinic energy ray resin combination, hardening thing and article 日本化药株式会社 2018-08-07 CN disclosed
CN-105636991-A Photosensitive resin composition for forming curved member, photosensitive resin film for forming curved member using same, and lens member using same HITACHI CHEMICAL CO LTD 2016-06-01 CN disclosed
CN-105518499-A Resin composition for forming optical waveguide, resin film for forming optical waveguide, and optical waveguide using same HITACHI CHEMICAL CO LTD 2016-04-20 CN disclosed
US-20150191493-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS Universite de Bordeaux (FR) 2015-07-09 US disclosed
EP-2684887-B1 New process for preparing arylboranes by arylation of organoboron compounds UNIV BORDEAUX (FR) 2015-06-17 EP disclosed
CN-1203582-A Method for producing 4, 6-di (substituted) phenylazoresorcinol NISSAN CHEMICAL CO LTD (JP) 1998-12-30 CN disclosed
CN-1098745-A Method with PQQ-dependent dehydrogenase colorimetric estimation analyte BOEHRINGER MANNHEIM GMBH (DE) 1995-02-15 CN disclosed
CN-1017426-B Process for preparing alkyl melatonin LILLY CO ELI (US) 1992-07-15 CN disclosed
CN-88100478-A alkyl melatonin 1988-08-17 CN disclosed
US-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 US disclosed
US-4307171-A Negative-working diazo type photoreproduction having improved D-min and line acuity JAMES RIVER GRAPHICS, INC. (US) 1981-12-22 US disclosed
US-4307170-A ACID CATALYST - AZO COUPLERS PROMOTE DISCOLORATION AND BLOOM RESISTANCE JAMES RIVER GRAPHICS, INC. (US) 1981-12-22 US disclosed
US-4289839-A BLOCKED COUPLER LIBERATED BY PHOTOCHEMICALLY FORMED ACID JAMES RIVER GRAPHICS, INC. (US) 1981-09-15 US disclosed
US-4252884-A DIAZONIUM SALT, BLOCKED PHENOLIC COUPLER JAMES RIVER GRAPHICS, INC. (US) 1981-02-24 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-20150191493-A1 NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS NISCH, BRD7, BRSK2 CA1 4257/4885CA2 1258/4885CA7 1000/4885

“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.