SCHEMBL738665

SCHEMBL738665

Br[Pd]Br.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.75
CYP3A4 P08684 1/20 0.75
ESR1 P03372 4/20 0.55
ESR2 Q92731 4/20 0.55
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.33
APP P05067 1/20 0.33
DRD1 P21728 2/20 0.32
BBOX1 O75936 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
EHMT1 Q9H9B1 1/20 0.30
TRPA1 O75762 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4059553 1.00 TDP1 (0.75) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL10792885 1.00 TDP1 (0.75) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL101 0.87 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
Benzene SCHEMBL6890099 0.87 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL5028587 0.87 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL2085135 0.87 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL1654102 0.84 TDP1 (0.80) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL21296017 0.84 TDP1 (0.80) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL4053762 0.84 TDP1 (0.80) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL5839090 0.84 TDP1 (0.80) TDP1CYP3A4ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968406-A Polycyclic olefin polymers containing acrylate functionality and acrylate/maleimide crosslinkers as B-stageable compositions in low loss applications 普罗米鲁斯有限责任公司 2025-05-09 CN claimed
CN-118956043-B Light power cable for ship and processing method thereof 广州澳兴光电传输科技股份有限公司 2025-02-07 CN claimed
CN-118956043-A Light power cable for ship and processing method thereof 广州澳兴光电传输科技股份有限公司 2024-11-15 CN claimed
CN-116368165-A Polycyclic olefin composition for low loss films with improved thermal properties 普罗米鲁斯有限责任公司 2023-06-30 CN claimed
CN-110330528-A A kind of preparation method of bis- (triphenylphosphine) palladium bromides 西安凯立新材料股份有限公司 2019-10-15 CN claimed
WO-2005066109-A1 A PROCESS FOR THE PREPARATION OF 2-HYDROXY CARBOXYLIC ACIDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-07-21 WO claimed
US-20050143600-A1 Process for the preparation of 2-hydroxy carboxylic acids COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-06-30 US claimed
EP-1169295-B1 PREPARATION OF SUBSTITUTED AROMATIC CARBOXYLIC ACID ESTERS EASTMAN CHEM CO (US) 2004-07-28 EP claimed
US-20020040159-A1 Preparation of substituted aromatic carboxylic acid esters EASTMAN CHEMICAL COMPANY 2002-04-04 US claimed
EP-1169295-A1 PREPARATION OF SUBSTITUTED AROMATIC CARBOXYLIC ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2002-01-09 EP claimed
US-6337418-B1 PALLADIUM COMPLEX-CATALYZED CARBOXYLATION OF NITRO NITRO-SUBSTITUTED ARYL HALIDE, IN ABSENCE OF WATER AND OXYGEN, WITH CARBON MONOXIDE, AN ALCOHOL, PROTON ACCEPTOR; OPTIONAL SULFIDING WITH THIOLATE ANION EASTMAN CHEMICAL CO. 2002-01-08 US claimed
WO-2000061538-A1 PREPARATION OF SUBSTITUTED AROMATIC CARBOXYLIC ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2000-10-19 WO claimed
US-4820823-A ONE STEP CARBONYLATION OF ORGANIC HALIDE WITH CARBON MONOXIDE AND WATER USING BASE AND PALLADIUM CATALYST DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1989-04-11 US claimed
JP-61027937-A None JP disclosed
US-12559446-B2 Hydrogenation of l-sorbose BASF SE (DE) 2026-02-24 US disclosed
EP-3921298-B1 PROCESS FOR THE PRODUCTION OF ACETALS FROM CARBON DIOXIDE BASF SE (DE) 2025-12-03 EP disclosed
EP-0077542-A1 Process for preparing diesters of malonic acid UBE INDUSTRIES, LTD. (JP) 1983-04-27 EP disclosed
EP-0045520-A1 Pyrimido-(4,5-d)(2)-benzazepines, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-02-10 EP disclosed
US-4128554-A Process for the preparation of carboxylic acid amides from organic halides UNIVERSITY OF DELAWARE (US) 1978-12-05 US disclosed
US-3988358-A Process for the preparation of carboxylic acid esters from organic halides THE UNIVERSITY OF DELAWARE (US) 1976-10-26 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 (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-20020040159-A1 Preparation of substituted aromatic carboxylic acid esters TH, DDC, PAH TDP1 1898/4885CYP3A4 32/4885ESR1 822/4885
US-12559446-B2 Hydrogenation of l-sorbose ME1, LDHA, L1CAM TDP1 3624/4885CYP3A4 1388/4885ESR1 2347/4885

“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.