SCHEMBL484365

SCHEMBL484365

COCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CA4 P22748 1/20 0.35
ADRB2 P07550 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KCNA3 P22001 1/20 0.32
DRD1 P21728 2/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA2 P00918 1/20 0.31
LTA4H P09960 2/20 0.31

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
Phosphine SCHEMBL9631269 0.98 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL29024165 0.83 CYP3A4 (0.60) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL21057058 0.83 CYP3A4 (0.60) CYP3A4TDP1ESR1ESR2KDM4E
Ethyl Chloride SCHEMBL2149959 0.82 CYP3A4 (0.67) CYP3A4TDP1ESR1ESR2KDM4E
Methoxymethane SCHEMBL9622762 0.82 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
Methylene Chloride SCHEMBL958149 0.82 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL1654463 0.81 TDP1 (0.57) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL6260735 0.80 TDP1 (0.50) CYP3A4TDP1ESR1ESR2KDM4E
Methoxymethane SCHEMBL15347765 0.79 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
Methoxymethane SCHEMBL28458551 0.79 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E

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 1011 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713317-A1 A PROCESS FOR PURIFICATION OF ETHOFUMESATE Adama Agan Ltd. (IL) 2026-03-25 EP claimed
WO-2024236570-A1 A PROCESS FOR PURIFICATION OF ETHOFUMESATE ADAMA AGAN LTD. (IL) 2024-11-21 WO claimed
CN-118878430-A Compound, synthesis method thereof and synthesis method of 5, 6-dihydroxyindole 谱尼生物医药科技(上海)有限公司 2024-11-01 CN claimed
CN-118638086-A Full synthesis method of tetrahydronaphtho cyclic ether lignan STELLERALIGNAN 西南交通大学 2024-09-13 CN claimed
CN-118439921-A Preparation method of trans-1-bromo-4- [4- (trifluoroalkyl) cyclohexyl ] benzene compound 陕西莱特光电材料股份有限公司 2024-08-06 CN claimed
CN-118317946-A Processes and intermediates for the preparation of baratinib 因赛特公司 2024-07-09 CN claimed
CN-117603169-A Method for synthesizing key intermediate of pilocarpine 杭州澳赛诺生物科技有限公司 2024-02-27 CN claimed
CN-117043152-A Methods and intermediates for preparing JAK1 inhibitors 因赛特公司 2023-11-10 CN claimed
CN-116903625-A EGFR inhibitor intermediate and synthetic method and application thereof 广州安岩仁医药科技有限公司 2023-10-20 CN claimed
CN-116761792-A Methods and intermediates for preparing JAK inhibitors 因赛特公司 2023-09-15 CN claimed
CN-107759601-B Preparation method of JAK inhibitor and salt thereof 苏州旺山旺水生物医药有限公司 2020-09-11 CN claimed
CN-104844546-A Method for synthesizing salvianolic acid B and related derivatives XIE YANG 2015-08-19 CN claimed
CN-103937522-B Separation method for phenol compounds and nitrogen-containing compounds in coal tar WUHUAN ENGINEERING CO LTD 2015-07-01 CN claimed
US-7217729-B2 Substituted indoles, process for the production thereof and use thereof for combatting pain GRUNENTHAL GMBH (DE) 2007-05-15 US claimed
US-7041662-B2 Substituted benzo [b] azepin-2-one compounds GRUNENTHAL GMBH (DE) 2006-05-09 US claimed
EP-1472221-B1 SUBSTITUTED INDOLES, METHOD FOR PRODUCTION AND USE THEREOF FOR THE INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2006-03-22 EP claimed
EP-1444206-B1 SUBSTITUTED BENZO[B]AZEPIN-2-ONE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2006-03-15 EP claimed
US-20040224980-A1 Substituted 1H-quinolin-2-one compounds GRUNENTHAL GMBH (DE) 2004-11-11 US claimed
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds GRUNENTHAL GMBH (DE) 2004-11-11 US claimed
US-20040225003-A1 4,6-Dimethyl-3-{[3'-(N,N-dimethylaminomethyl)-4-hydroxy-4'-(3''-methoxyphenyl)-cyclohexylamino]-methyl}-1H-indole 2-carboxylic acid ethyl ester or other derivatives of substituted indoles; for treatment or prevention of neurodegenerative diseases, psychological disorders, AIDS, inflammation or allergies GRUNENTHAL GMBH (DE) 2004-11-11 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-20040225003-A1 4,6-Dimethyl-3-{[3'-(N,N-dimethylaminomethyl)-4-hydroxy-4'-(3''-methoxyphenyl)-cyclohexylamino]-methyl}-1H-indole 2-carboxylic acid ethyl ester or other derivatives of substituted indoles; for treatment or prevention of neurodegenerative diseases, psychological disorders, AIDS, inflammation or allergies HNMT, HTR6, HTR3C CYP3A4 399/4885TDP1 731/4885ESR1 1386/4885
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds NQO2, NQO1, CYP2C8 CYP3A4 23/4885TDP1 2741/4885ESR1 4496/4885
US-20040224980-A1 Substituted 1H-quinolin-2-one compounds NQO1, QARS1, QDPR CYP3A4 159/4885TDP1 2687/4885ESR1 3774/4885

“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.