SCHEMBL240779

SCHEMBL240779

c1ccc(P(CCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALPG P10696 1/20 0.31
ALOX12 P18054 1/20 0.31
NPY1R P25929 1/20 0.31
HTT P42858 1/20 0.31
NPY2R P49146 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAOA P21397 1/20 0.31
KCNA3 P22001 1/20 0.31
CALM1 P0DP23 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL6250707 1.00 TDP1 (0.43) TDP1CYP3A4ESR1ESR2MAPT
SCHEMBL7164452 1.00 TDP1 (0.43) TDP1CYP3A4ESR1ESR2MAPT
SCHEMBL5838521 1.00 TDP1 (0.43) TDP1CYP3A4ESR1ESR2MAPT
SCHEMBL689027 1.00 TDP1 (0.43) TDP1CYP3A4ESR1ESR2MAPT
SCHEMBL7916946 1.00 TDP1 (0.43) TDP1CYP3A4ESR1ESR2MAPT
SCHEMBL2919943 0.97 TDP1 (0.41) TDP1CYP3A4ESR1ESR2MAPT
SCHEMBL2921864 0.97 TDP1 (0.41) TDP1CYP3A4ESR1ESR2MAPT
Phosphine SCHEMBL10831576 0.97 TDP1 (0.41) TDP1CYP3A4ESR1ESR2MAPT
SCHEMBL29179 0.97 CYP3A4 (0.45) TDP1CYP3A4ESR1ESR2MAPT
SCHEMBL3930010 0.94 CYP3A4 (0.43) TDP1CYP3A4ESR1ESR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344569-B2 Process for making a conjugated diene from an allyl alcohol GIVAUDAN SA (CH) 2025-07-01 US claimed
CN-119874632-A Nitrogen-containing heterocyclic compound and preparation method thereof 苏州大学 2025-04-25 CN claimed
CN-118638089-B Preparation method for synthesizing flavonoid compound based on carbon dioxide 湖南工程学院 2024-11-12 CN claimed
CN-118638089-A Preparation method for synthesizing flavonoid compound based on carbon dioxide 湖南工程学院 2024-09-13 CN claimed
CN-118580135-A Synthesis method of non-benzene type polycyclic aromatic hydrocarbon containing complex heterocyclic ring system based on metal-catalyzed coupling-cyclization reaction 中国科学院化学研究所 2024-09-03 CN claimed
EP-4168383-B1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL GIVAUDAN SA (CH) 2024-07-31 EP claimed
US-11976032-B2 Process for preparing S,S′-dialkyldithiocarbonate from dialkyl disulfide ARKEMA FRANCE (FR) 2024-05-07 US claimed
CN-115215720-B Graphene nano fragment molecule containing azulene unit-azulene and jade red province and synthesis method and application thereof 中国科学院化学研究所 2023-08-22 CN claimed
CN-116003927-B Butyl rubber capable of being repeatedly processed and preparation method thereof 山东泰瑞丰新材料有限公司 2023-08-01 CN claimed
US-20230167052-A1 PROCESS FOR PREPARING S,S'-DIALKYLDITHIOCARBONATE FROM DIALKYL DISULFIDE ARKEMA FRANCE (FR) 2023-06-01 US claimed
US-5028734-A Process for the selective preparation of alkenecarboxylic acid derivatives SHELL OIL COMPANY (US) 1991-07-02 US claimed
EP-0405389-A1 Process for producing an aromatic compound Mitsubishi Chemical Corporation (JP) 1991-01-02 EP claimed
EP-0376856-A1 Preparation of biaryl compounds EASTMAN KODAK COMPANY (US) 1990-07-04 EP claimed
WO-1990006295-A1 PREPARATION OF BIARYL COMPOUNDS EASTMAN KODAK COMPANY (US) 1990-06-14 WO claimed
EP-0369864-A2 Process for producing aromatic amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-05-23 EP claimed
EP-0186228-B1 PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-08-23 EP claimed
EP-0273489-A2 Process for the selective preparation of alkenecarboxylic acid derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-07-06 EP claimed
US-4739109-A USING PALLADIUM COMPOUND, ORGANIC PHOSPHINE, PROTONIC ACID CATALYST SHELL OIL COMPANY (US) 1988-04-19 US claimed
US-4629807-A Selective synthesis of aliphatic dicarboxylic acid esters using palladium-phosphine or palladium-arsine catalysts TEXACO INC. (US) 1986-12-16 US claimed
EP-0186228-A1 Process for the carbonylation of acetylenically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-07-02 EP 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 (1 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-12344569-B2 Process for making a conjugated diene from an allyl alcohol ADH1C, ADH1A, ADH5 TDP1 4081/4885CYP3A4 239/4885ESR1 2410/4885

“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.