SCHEMBL1991340

SCHEMBL1991340

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

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.92
CYP3A4 P08684 1/20 0.92
ESR1 P03372 4/20 0.63
ESR2 Q92731 4/20 0.63
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
DRD1 P21728 2/20 0.35
TSHR P16473 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL27439894 1.00 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL434375 1.00 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL123904 1.00 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL29555335 1.00 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL1195618 1.00 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
Ammonia Solution, Strong SCHEMBL9146631 0.96 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Hydrochloric Acid SCHEMBL612491 0.96 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL809368 0.96 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Iodide SCHEMBL5241027 0.96 TDP1 (0.86) TDP1CYP3A4ESR1ESR2KDM4E
Bromide SCHEMBL809433 0.96 TDP1 (0.86) 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 1068 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4190769-B1 APPLICATION OF POLYDENTATE PHOSPHITE LIGAND IN CATALYTIC SYNTHESIS OF ADIPONITRILE ZHEJIANG NHU CO LTD (CN) 2026-02-11 EP claimed
US-12331007-B2 Use of a multidentate phosphite ligand in the catalytic synthesis of adiponitrile ZHEJIANG NHU CO., LTD. (CN) 2025-06-17 US claimed
CN-116947865-B Synthesis method of risperidone intermediate and Li Sipu-blue intermediate 扬州联澳生物医药有限公司 2025-06-13 CN claimed
CN-120081782-A Preparation method of 2-aminoethyl-3-chloro-5-trifluoromethylpyridine 天津均凯农业科技有限公司 2025-06-03 CN claimed
CN-118955233-B Synthesis method of monosubstituted bicyclo [1.1.1] pentane (BCP) 康龙化成手性医药技术(宁波)有限公司 2025-05-06 CN claimed
CN-119912652-A Ionic liquid polymer catalyst and preparation method and application thereof 中国科学院兰州化学物理研究所 2025-05-02 CN claimed
US-12280364-B2 Complex compound and method for manufacturing the same MARUZEN PETROCHEMICAL CO., LTD. (JP) 2025-04-22 US claimed
CN-119798212-A Preparation method of lubabaril intermediate 2-thiophenol 浙江永太科技股份有限公司 2025-04-11 CN claimed
CN-118955233-A Synthesis method of monosubstituted bicyclo [1.1.1] pentane (BCP) 康龙化成手性医药技术(宁波)有限公司 2024-11-15 CN claimed
US-20240336560-A1 Use of a Multidentate Phosphite Ligand in the Catalytic Synthesis of Adiponitrile ZHEJIANG NHU CO., LTD. (CN) 2024-10-10 US claimed
CN-1429767-A Preparation method of nano carbon material CANON KK (JP) 2003-07-16 CN claimed
CN-1396194-A Process for preparing biphenyl polyimide CHANGCHUN APPLIED CHEMISTRY (CN) 2003-02-12 CN claimed
CN-1390644-A Catalysis system f nitrogen-phosphinonickel matches and its preparing process and application CHINESE ACAD INST CHEMISTRY (CN) 2003-01-15 CN claimed
CN-1081627-C Process for synthesizing benzoic acids ROHM & HAAS (US) 2002-03-27 CN claimed
CN-1196055-A 2-[[2-(2-hydroxyethyl) amino] ethyl]-5-[[2-methylamino) ethyl] amino] [4,3-gh] isoquinolin-6(2H)-one as antitumor agent BOEHRINGER MANNHEIM ITALIA (IT) 1998-10-14 CN claimed
CN-1188107-A Process for synthesizing benzoic acids ROHM & HAAS (US) 1998-07-22 CN claimed
CN-1149293-A Process for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX INC (US) 1997-05-07 CN claimed
CN-1108659-A Trifluoroisopropenyl zinc reagent and its derivate application SHANGHAI INST ORGANIC CHEM (CN) 1995-09-20 CN claimed
CN-1059516-A The preparation method of biphenylcarbonitriles ICI LTD (GB) 1992-03-18 CN claimed
CN-1051911-A Trifluoroisopropenyl zinc reagent and derivative, preparation and application thereof SHANGHAI ORGANIC CHEMESTRY INS (CN) 1991-06-05 CN 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 (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-12331007-B2 Use of a multidentate phosphite ligand in the catalytic synthesis of adiponitrile FABP4, LIPE, FASN TDP1 4423/4885CYP3A4 1130/4885ESR1 1998/4885
US-20240336560-A1 Use of a Multidentate Phosphite Ligand in the Catalytic Synthesis of Adiponitrile FABP4, LIPE, FASN TDP1 4423/4885CYP3A4 1130/4885ESR1 1998/4885

“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.