SCHEMBL4445709

SCHEMBL4445709

COc1cc(O)c(O)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
USP2 O75604 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ERN1 O75460 1/20 0.59
ABL1 P00519 2/20 0.55
BCR P11274 2/20 0.55
PTGS2 P35354 2/20 0.52
PTPN1 P18031 1/20 0.50
ALOX5 P09917 1/20 0.50
MAOB P27338 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
MAPT P10636 1/20 0.46
ABCG2 Q9UNQ0 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
SCHEMBL1047550 0.90 ABL1 (0.65) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL67338 0.87 CYP3A4 (0.67) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL8007183 0.83 ABL1 (0.53) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL29888627 0.83 CYP3A4 (0.57) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL67495 0.82 PTGS2 (0.64) CYP3A4USP2MAPK1SMN1; SMN2PTGS2
SCHEMBL11581623 0.81 ABL1 (0.52) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL3300408 0.81 CYP3A4 (0.74) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL1402215 0.81 CYP3A4 (0.60) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL30277943 0.81 CYP3A4 (0.74) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL18419016 0.81 ALOX5 (0.69) CYP3A4USP2MAPK1SMN1; SMN2ERN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119370-A Composition comprising an oxidation dye and a direct dye 花王株式会社 2024-05-31 CN claimed
CN-118287135-A Isocyanate polymerization catalyst and preparation method thereof, polyisocyanate composition and preparation method thereof 万华化学集团股份有限公司 2024-07-05 CN disclosed
CN-116322619-A Hair dyeing composition with improved durability 花王株式会社 2023-06-23 CN disclosed
CN-116249511-A Hair dyeing composition comprising blue dye 花王株式会社 2023-06-09 CN disclosed
US-20230159421-A1 SUBSTITUTED HYDROXYSTILBENE COMPOUNDS AND DERIVATIVES SYNTHESIS AND USES THEREOF Kynan Duke IP, LLC (US) 2023-05-25 US disclosed
CN-104487433-A Triazolone compounds as mpges-1 inhibitors GLENMARK PHARMACEUTICALS SA 2015-04-01 CN disclosed
EP-1006374-B1 Process for producing a resin having a large refractive index MITSUBISHI GAS CHEMICAL CO (JP) 2009-01-07 EP disclosed
US-6887891-B2 Derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-05-03 US disclosed
US-20040019084-A1 New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S) 2004-01-29 US disclosed
EP-1169316-B9 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-10-29 EP disclosed
US-6605637-B1 Nitrogen monoxide synthase inhibitors; such as n-(4-(((2-thienyl)(imino)methyl)amino)phenyl)-1,2-dithiolane-3-pentamide SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-08-12 US disclosed
US-6534589-B1 Catalytic curing and polymerization of episulfide compound in presence of phenolic compound MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2003-03-18 US disclosed
EP-1169316-B1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-03-05 EP disclosed
US-6365223-B1 HYDROPHOBIC RESINS CONTAINING SULFUR, SUCH AS POLYTHIOETHERS, DIPPING INTO A LIQUID COMPRISING AN INORGANIC AND/OR AN ORGANIC ACID; THE ORGANIC ACID IS A MIXTURE OF A SULFONIC ACID COMPOUND AND A PHENOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-04-02 US disclosed
EP-1169316-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-09 EP disclosed
WO-2000059899-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEIL DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-10-12 WO disclosed
EP-1024223-A2 Process for tinting a resin for optical materials MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-08-02 EP disclosed
EP-1006374-A2 Process for producing a resin having a large refractive index MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-06-07 EP 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 (2 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-20040019084-A1 New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, LPO CYP3A4 570/4885USP2 1571/4885MAPK1 1479/4885
US-20230159421-A1 SUBSTITUTED HYDROXYSTILBENE COMPOUNDS AND DERIVATIVES SYNTHESIS AND USES THEREOF CYP8B1, HSD11B1, HSD11B2 CYP3A4 119/4885USP2 3266/4885MAPK1 1950/4885

“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.