SCHEMBL613867

SCHEMBL613867

CC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAAR1 Q96RJ0 4/20 0.31
SLC6A2 P23975 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL613866 1.00 CYP3A4 (0.35) CYP3A4TDP1TAAR1SLC6A2MAOA
SCHEMBL3310231 1.00 CYP3A4 (0.35) CYP3A4TDP1TAAR1SLC6A2MAOA
SCHEMBL7196495 0.98 CYP3A4 (0.33) CYP3A4TDP1TAAR1SLC6A2MAOA
SCHEMBL828451 0.98 CYP3A4 (0.33) CYP3A4TDP1TAAR1SLC6A2MAOA
SCHEMBL5177211 0.98 CYP3A4 (0.33) CYP3A4TDP1TAAR1SLC6A2MAOA
Hydrochloric Acid SCHEMBL4527827 0.96 CYP3A4 (0.32) CYP3A4TDP1TAAR1
Hydrochloric Acid SCHEMBL7834687 0.96 CYP3A4 (0.32) CYP3A4TDP1
Hydrochloric Acid SCHEMBL9740749 0.96 CYP3A4 (0.32) CYP3A4TDP1TAAR1
Hydrochloric Acid SCHEMBL4527828 0.96 CYP3A4 (0.32) CYP3A4TDP1
Hydrochloric Acid SCHEMBL10627872 0.96 CYP3A4 (0.32) CYP3A4TDP1

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 1111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026104818-A1 COMPLEX JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2026-05-21 WO claimed
EP-2427468-B2 PREPARATION OF A METAL COMPLEX JOHNSON MATTHEY PLC (GB) 2025-06-04 EP claimed
EP-3856738-B1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST QUIM SINTETICA S A (ES) 2025-03-19 EP claimed
CN-111686817-B Copper-supported catalyst, preparation method and application thereof 上海博腾智拓医药科技有限公司 2024-02-09 CN claimed
EP-4267591-A2 ORGANOMETALLIC COMPOUNDS Umicore AG & Co. KG (DE) 2023-11-01 EP claimed
CN-116802187-A Organometallic compounds 优米科尔股份公司及两合公司 2023-09-22 CN claimed
CN-116514750-A Production process of 2, 3',4' -biphenyl tetracarboxylic dianhydride 安徽秀朗新材料科技有限公司 2023-08-01 CN claimed
CN-115957823-A Ethylene carbonylation catalyst and application thereof 上海浦景化工技术股份有限公司 2023-04-14 CN claimed
CN-115403465-A Preparation method for synthesizing organic carboxylic ester from carbon dioxide and olefin 湖南工程学院 2022-11-29 CN claimed
CN-115304441-A Preparation method for synthesizing amide from carbon dioxide and olefin 湖南工程学院 2022-11-08 CN claimed
US-6583312-B2 Catalytic hydrogenation of trimethylpyruvic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-06-24 US claimed
US-20020035271-A1 Process for preparing oprtically active trimethyllactic acid and its ester BAYER AKTIENGESELLSCHAFT (DE) 2002-03-21 US claimed
EP-1160237-A2 Method for the preparation of optically active trimethyllactic acid and its esters BAYER AG (DE) 2001-12-05 EP claimed
US-6242629-B1 CHARGING A REACTOR WITH CONTACT MASS CONTAINING METALLIC SILICON POWDER AND COPPER CATALYST; INTRODUCING ORGANOHALIDE-CONTAINING GAS INTO REACTOR TO EFFECT REACTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-06-05 US claimed
US-5627256-A STABILIZER BAYER AG (DE) 1997-05-06 US claimed
US-5414110-A Carbonylation and esterification DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-09 US claimed
US-5405960-A Triarylborane derivatives, their preparation and their use as synthesis intermediates SYNTHELABO (FR) 1995-04-11 US claimed
EP-0631814-A1 Ru-Sn HETEROPOLYNUCLEAR COMPLEX AND PROCESS FOR PRODUCING ACETIC ACID OR METHYL ACETATE BY USING THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-04 EP claimed
US-4912221-A Chiral 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and precursors and preparation thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1990-03-27 US claimed
US-4496766-A FROM AN A-DISUBSTITUTED-8-KETO ACID ESTER; USING A CATALYST COMPLEX OF A PALLADIUM COMPOUND AND A PHOSPHINE NIPPON ZEON CO. LTD. (JP) 1985-01-29 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 (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-20020035271-A1 Process for preparing oprtically active trimethyllactic acid and its ester ME1, OPRK1, OPRM1 CYP3A4 57/4885TDP1 4552/4885TAAR1 3235/4885

“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.