SCHEMBL613044

SCHEMBL613044

CCCC=CCc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
MAOB P27338 1/20 0.31
KCNH2 Q12809 2/20 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
SCHEMBL1069057 1.00 TLR8 (0.33) TLR8MAOBKCNH2
SCHEMBL4057587 0.89 CYP2D6 (0.35) KCNH2
SCHEMBL5206588 0.88 CYP2D6 (0.40) KCNH2
SCHEMBL5204826 0.86 CYP2D6 (0.42) KCNH2
SCHEMBL5207708 0.86 CYP2D6 (0.42) KCNH2
SCHEMBL5207240 0.86 CYP2D6 (0.42) KCNH2
SCHEMBL5207917 0.86 CYP2D6 (0.42) KCNH2
SCHEMBL5209886 0.86 CYP2D6 (0.42) KCNH2
SCHEMBL5207398 0.86 CYP2D6 (0.42) KCNH2
SCHEMBL5207401 0.86 CYP2D6 (0.42) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024099911-A1 IRON CARBONYL COMPLEXES WITH CHIRAL, BIDENTATE BIPHOSPHINE LIGANDS BASF SE (DE) 2024-05-16 WO disclosed
WO-2023137133-A2 PROCESS FOR THE SELECTIVE CATALYTIC HYDROGENATION OF DIENONES BASF SE (DE) 2023-07-20 WO disclosed
US-RE49036-E1 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2022-04-19 US disclosed
CN-107250091-B Method for synthesizing optically active carbonyl compound 巴斯夫欧洲公司 2021-05-04 CN disclosed
EP-3489213-B1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2021-04-28 EP disclosed
EP-3489213-A1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-05-29 EP disclosed
US-10301244-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2019-05-28 US disclosed
EP-3233778-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-02-20 EP disclosed
US-20180244598-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-08-30 US disclosed
US-9975837-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2018-05-22 US disclosed
WO-2000034236-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-06-15 WO disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed
CN-1242771-A Ketone derivatives and medicinal use thereof TORAY INDUSTRIES (JP) 2000-01-26 CN disclosed
US-6005000-A 5,5-Disubstituted-3, 4-dihydroxy-2(5H)-furanones and methods of use therefor OXIS INTERNATIONAL, INC. (US) 1999-12-21 US disclosed
EP-0938482-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR Oxis International, Inc. (US) 1999-09-01 EP disclosed
WO-1998007714-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR OXIS INTERNATIONAL, INC. (US) 1998-02-26 WO disclosed
CN-1029227-C Composition for denatured denaturation or protection agent for nerve cell and process for preparing benzene derivatives used for composition OTSUKA PHARMA CO LTD (JP) 1995-07-05 CN disclosed
US-5053548-A Containing hydroxy substituents; nervous system disorders OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-01 US disclosed
CN-1044807-A Neurocyte sex change reparation or protective material are with composition and the preparation method that is used for the benzene derivative of said composition OTSUKA PHARMA CO LTD (JP) 1990-08-22 CN disclosed
EP-0382213-A2 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed

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-20180244598-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 TLR8 3559/4885MAOB 633/4885KCNH2 692/4885
US-10301244-B2 Method for synthesizing optically active carbonyl compounds CBR3, CBR1, HRH4 TLR8 3559/4885MAOB 633/4885KCNH2 692/4885

“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.