SCHEMBL269558

SCHEMBL269558

COC(=O)c1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.88
CA2 P00918 5/20 0.88
MAPT P10636 3/20 0.68
KMT2A Q03164 2/20 0.68
KDM4E B2RXH2 2/20 0.68
MEN1 O00255 1/20 0.68
NPC1 O15118 2/20 0.60
LMNA P02545 1/20 0.60
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
RAB9A P51151 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
CA7 P43166 1/20 0.57
PLK1 P53350 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL16604876 1.00 CA1 (0.88) CA1CA2MAPTKMT2AKDM4E
Methyl 4-Methoxybenzoate SCHEMBL231243 0.94 CA1 (1.00) CA1CA2MAPTKMT2AKDM4E
SCHEMBL16751100 0.93 CA1 (0.75) CA1CA2MAPTKMT2AKDM4E
SCHEMBL16573857 0.93 CA1 (0.75) CA1CA2MAPTKMT2AKDM4E
SCHEMBL12895907 0.93 CA1 (0.75) CA1CA2MAPTKMT2AKDM4E
Methyl 4-Methoxybenzoate SCHEMBL27405603 0.91 CA1 (0.95) CA1CA2MAPTKMT2AKDM4E
SCHEMBL7322929 0.91 CA1 (0.72) CA1CA2MAPTKMT2AKDM4E
SCHEMBL7738852 0.89 CA1 (0.70) CA1CA2MAPTKMT2AKDM4E
SCHEMBL7738854 0.89 CA1 (0.70) CA1CA2MAPTKMT2AKDM4E
Methyl 4-Methoxybenzoate SCHEMBL28248974 0.89 CA1 (0.91) CA1CA2MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e. V. Hans-Knöll-Institut (DE) 2022-11-01 US disclosed
US-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e. V. Hans-Knöll-Institut (DE) 2022-11-01 US disclosed
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL-INSTITUT (HKI) (DE) 2020-10-29 US disclosed
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL-INSTITUT (HKI) (DE) 2020-10-29 US disclosed
EP-3713910-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e.V. -Hans-Knöll-Institut- (HKI) (DE) 2020-09-30 EP disclosed
US-20200031731-A1 Gold-Catalyzed C-C Cross-Coupling of Boron- and Silicon-Containing Aryl Compounds and Aryldiazonium Compounds by Visible-Light Universität Heidelberg (DE) 2020-01-30 US disclosed
US-20200031731-A1 Gold-Catalyzed C-C Cross-Coupling of Boron- and Silicon-Containing Aryl Compounds and Aryldiazonium Compounds by Visible-Light Universität Heidelberg (DE) 2020-01-30 US disclosed
EP-3555029-A1 GOLD-CATALYZED C-C CROSS-COUPLING OF BORON- AND SILICON-CONTAINING ARYL COMPOUNDS AND ARYLDIAZONIUM COMPOUNDS BY VISIBLE-LIGHT Universität Heidelberg (DE) 2019-10-23 EP disclosed
WO-2019101679-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL INSTITUT (HKI) (DE) 2019-05-31 WO disclosed
WO-2019101679-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL INSTITUT (HKI) (DE) 2019-05-31 WO disclosed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 WO disclosed
EP-1313560-A4 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2005-02-09 EP disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM CA1 1544/4885CA2 656/4885MAPT 4800/4885
US-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses CBR3, POR, CYP2F1 CA1 3813/4885CA2 1511/4885MAPT 3454/4885
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES CBR3, POR, CYP2F1 CA1 3813/4885CA2 1511/4885MAPT 3454/4885
US-20200031731-A1 Gold-Catalyzed C-C Cross-Coupling of Boron- and Silicon-Containing Aryl Compounds and Aryldiazonium Compounds by Visible-Light HCCS, AHR, CTRC CA1 2217/4885CA2 1319/4885MAPT 2245/4885

“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.