SCHEMBL197144

SCHEMBL197144

Cl[Ni]Cl.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
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
SCHEMBL6442588 1.00 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2TSHR
SCHEMBL19031749 0.93 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL196880 0.90 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2
SCHEMBL6328 0.90 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2
SCHEMBL6445751 0.90 CYP3A4 (0.38) CYP3A4TDP1ESR1ESR2
SCHEMBL10595565 0.89 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2TSHR
SCHEMBL9806656 0.89 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2TSHR
SCHEMBL27343 0.89 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2TSHR
Hydrochloric Acid SCHEMBL8876479 0.88 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL5079169 0.86 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768733-B Aryl cyclic ammonium salt arylation and silicon-based method 中国科学技术大学 2025-05-23 CN claimed
CN-116332882-B Synthesis process of key intermediate of englitz 江苏阿尔法集团福瑞药业(宿迁)有限公司 2025-03-18 CN claimed
WO-2025053792-A1 COLLECTIVE SYNTHESIS OF PHANTOMOLIN FAMILY THROUGH TOTAL SYNTHESIS OF THE SESQUITERPENE LACTONE MOLEPHANTIN NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-03-13 WO claimed
US-20250059143-A1 CAMPTOTHECIN DERIVATIVE INTERMEDIATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2025-02-20 US claimed
CN-115819274-B Synthesis method of 3, 4-difluorobenzonitrile 济宁康盛彩虹生物科技有限公司 2024-09-20 CN claimed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US claimed
CN-118414066-A Polymer photoelectric material modified by heptafluoroisopropyl ether side chain, and preparation method and application thereof 上海交通大学 2024-07-30 CN claimed
CN-112625502-B Ink composition, quantum dot-polymer composite, display device, and method of manufacturing the same 三星显示有限公司 2024-01-19 CN claimed
CN-116987024-A Preparation method of atazanavir intermediate 浙江荣耀生物科技股份有限公司 2023-11-03 CN claimed
CN-116768733-A Aryl cyclic ammonium salt arylation and silicon-based method 中国科学技术大学 2023-09-19 CN claimed
US-20060155105-A1 Halogenated thiophene monomer for the preparation of regioregular polythiophenes HONEYWELL INTERNATIONAL INC. 2006-07-13 US claimed
US-20060155134-A1 Process for the kumada coupling reaction HONEYWELL INTERNATIONAL INC. 2006-07-13 US claimed
EP-1028136-B1 A method of forming poly-(3-substituted) thiophenes UNIV CARNEGIE MELLON (US) 2006-05-24 EP claimed
US-20050080219-A1 Process of preparing regioregular polymers MERCK PATENT GMBH (DE) 2005-04-14 US claimed
US-20040030091-A1 Lightweight, electroconductivity, heat resistance MCCULLOUGH RICHARD D (US) 2004-02-12 US claimed
US-20040024171-A1 Stereospecific electroconductive polymers such as polyhexylthiophene-polystyrene or -polymethylacrylate copolymers, used as light emitting diodes, biosensors, transistors, displays or optical apparatus MCCULLOUGH RICHARD D (US) 2004-02-05 US claimed
US-6602974-B1 Conducting polymers, head-to-tail coupled regioregular polythiophenes, poly-(3-substituted) thiophene diol CARNEGIE MELLON UNIVERSITY 2003-08-05 US claimed
US-6166172-A Method of forming poly-(3-substituted) thiophenes CARNEGIE MELLON UNIVERSITY (US) 2000-12-26 US claimed
EP-1028136-A2 A method of forming poly-(3-substituted) thiophenes CARNEGIE-MELLON UNIVERSITY (US) 2000-08-16 EP claimed
US-5874628-A Method for preparation of tertiary phosphines via nickel-catalyzed cross coupling MONSANTO COMPANY (US) 1999-02-23 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 (3 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-20060155134-A1 Process for the kumada coupling reaction KMT5A, KMT5C, KCNT1 CYP3A4 116/4885TDP1 2054/4885ESR1 3928/4885
US-20250059143-A1 CAMPTOTHECIN DERIVATIVE INTERMEDIATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, ERCC4 CYP3A4 293/4885TDP1 1064/4885ESR1 3247/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR CYP3A4 254/4885TDP1 4450/4885ESR1 3084/4885

“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.