SCHEMBL188048

SCHEMBL188048

C1=C\CC/C=C\CC/1.C=C(C)C[Ru]CC(=C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL28515887 1.00 HSD17B10 (0.30) HSD17B10TDP1
SCHEMBL8759501 0.83
SCHEMBL6055761 0.81
SCHEMBL16859224 0.73
SCHEMBL28521018 0.67
SCHEMBL29430105 0.65
SCHEMBL29610148 0.64
Cyclohexene SCHEMBL11399475 0.61
Cyclopentene SCHEMBL27692699 0.61
SCHEMBL31255735 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182393-A1 SELECTIVE CATALYTIC ALKENE ISOMERIZATION FOR MAKING FRAGRANCE INGREDIENTS OR INTERMEDIATES INTERNATIONAL FLAVORS & FRAGRANCES INC. 2024-06-06 US claimed
EP-4313926-A2 SELECTIVE CATALYTIC ALKENE ISOMERIZATION FOR MAKING FRAGRANCE INGREDIENTS OR INTERMEDIATES International Flavors & Fragrances Inc. (US) 2024-02-07 EP claimed
WO-2022203964-A2 SELECTIVE CATALYTIC ALKENE ISOMERIZATION FOR MAKING FRAGRANCE INGREDIENTS OR INTERMEDIATES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2022-09-29 WO claimed
US-10421703-B2 Ruthenium-phenol catalysts for transfer hydrogenation reactions BASF SE (DE) 2019-09-24 US claimed
EP-3113879-B1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS BASF SE (DE) 2018-04-18 EP claimed
US-20180037530-A1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS BASF SE (DE) 2018-02-08 US claimed
US-9790157-B2 Ruthenium-phenol catalysts and method of preparing menthone from isopulegol BASF SE (REITSTÖTTER, KINZEBACH & PARTNER) (DE) 2017-10-17 US claimed
US-20170066704-A1 RUTHENIUM-PHENOL CATALYSTS AND METHOD OF PREPARING MENTHONE FROM ISOPULEGOL BASF SE (DE) 2017-03-09 US claimed
EP-2443129-B1 PROCESS FOR HYDROGENATION OF HALOGENOALKENES WITHOUT DEHALOGENATION LEK PHARMACEUTICALS (SI) 2016-11-23 EP claimed
US-9315525-B2 Synthetic route for the preparation of α-amino boronic acid derivatives via substituted alk-1-ynes LEK PHARMACEUTICALS D.D. (SI) 2016-04-19 US claimed
US-20120231993-A1 NEW SYNTHETIC ROUTE FOR THE PREPARATION OF ALPHA-AMINO BORONIC ACID DERIVATIVES via SUBSTITUTED ALK-1-YNES LEK PHARMACEUTICALS D.D. (SI) 2012-09-13 US claimed
US-20120220794-A1 PROCESS FOR HYDROGENATION OF HALOGENOALKENES WITHOUT DEHALOGENATION LEK PHARMACEUTICALS D.D. (SI) 2012-08-30 US claimed
EP-2427419-A2 VINYL ESTER PRODUCTION FROM ACETYLENE AND CARBOXYLIC UTILIZING HOMOGENEOUS CATALYST Celanese International Corporation (US) 2012-03-14 EP claimed
US-20110237803-A1 Process BIAL - PORTELA & CA, S.A. (PT) 2011-09-29 US claimed
EP-2303855-A2 CATALYTIC PROCESS FOR ASYMMETRIC HYDROGENATION BIAL - Portela & Ca., S.A. (PT) 2011-04-06 EP claimed
WO-2010146172-A2 NEW SYNTHETIC ROUTE FOR THE PREPARATION OF α-AMINO BORONIC ACID DERIVATIVES VIA SUBSTITUTED ALK-1-YNES LEK PHARMACEUTICALS D.D. (SI) 2010-12-23 WO claimed
WO-2010146176-A2 PROCESS FOR HYDROGENATION OF HALOGENOALKENES WITHOUT DEHALOGENATION LEK PHARMACEUTICALS D.D. (SI) 2010-12-23 WO claimed
WO-2010129030-A2 VINYL ESTER PRODUCTION FROM ACETYLENE AND CARBOXYLIC UTILIZING HOMOGENEOUS CATALYST CELANESE INTERNATIONAL CORPORATION (US) 2010-11-11 WO claimed
US-20100286440-A1 Vinyl Ester production from Acetylene and Carboxylic Acid utilizing homogeneous catalyst CELANESE INTERNATIONAL CORPORATION (US) 2010-11-11 US claimed
WO-2009136803-A2 PROCESS BIAL - PORTELA & CA., S.A. (PT) 2009-11-12 WO 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 (8 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-20170066704-A1 RUTHENIUM-PHENOL CATALYSTS AND METHOD OF PREPARING MENTHONE FROM ISOPULEGOL HPD, MDH2, PIN4 HSD17B10 403/4885TDP1 2903/4885
US-20180037530-A1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS HPD, ICMT, MDH2 HSD17B10 295/4885TDP1 2732/4885
US-20120220794-A1 PROCESS FOR HYDROGENATION OF HALOGENOALKENES WITHOUT DEHALOGENATION HDHD5, DEK, HCK HSD17B10 147/4885TDP1 1982/4885
US-20100286440-A1 Vinyl Ester production from Acetylene and Carboxylic Acid utilizing homogeneous catalyst ACACA, ACACB, ELL HSD17B10 165/4885TDP1 4473/4885
US-10421703-B2 Ruthenium-phenol catalysts for transfer hydrogenation reactions HPD, ICMT, MDH2 HSD17B10 295/4885TDP1 2732/4885
US-20240182393-A1 SELECTIVE CATALYTIC ALKENE ISOMERIZATION FOR MAKING FRAGRANCE INGREDIENTS OR INTERMEDIATES TPSD1, CYP51A1, TPSB2 HSD17B10 78/4885TDP1 1568/4885
US-20110237803-A1 Process CYP1A1, CBR1, CYP2F1 HSD17B10 358/4885TDP1 4761/4885
US-20120231993-A1 NEW SYNTHETIC ROUTE FOR THE PREPARATION OF ALPHA-AMINO BORONIC ACID DERIVATIVES via SUBSTITUTED ALK-1-YNES ALK, ABL2, ALKBH3 HSD17B10 3754/4885TDP1 400/4885

“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.