SCHEMBL1022576

SCHEMBL1022576

O=C1C=C(C2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.52
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DAO P14920 2/20 0.35
PTPN1 P18031 2/20 0.35
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35
CDC25B P30305 1/20 0.35
CEL P19835 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
ESR2 Q92731 1/20 0.31
NR1I2 O75469 1/20 0.31
KDM4B O94953 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 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
SCHEMBL1021749 0.98 TLR4 (0.53) TLR4MAOAMAOBDAOPTPN1
SCHEMBL9609547 0.89 TLR4 (0.50) TLR4MAOAMAOBDAOPTPN1
SCHEMBL5201714 0.84 TLR4 (0.55) TLR4MAOAMAOBDAOPTPN1
SCHEMBL7640330 0.83 TLR4 (0.48) TLR4MAOAMAOBDAOPTPN1
SCHEMBL7640959 0.83 TLR4 (0.48) TLR4MAOAMAOBDAOPTPN1
SCHEMBL7640433 0.83 TLR4 (0.48) TLR4MAOAMAOBDAOPTPN1
SCHEMBL7640144 0.83 TLR4 (0.48) TLR4MAOAMAOBDAOPTPN1
SCHEMBL7638703 0.83 TLR4 (0.48) TLR4MAOAMAOBDAOPTPN1
SCHEMBL7635039 0.83 TLR4 (0.48) TLR4MAOAMAOBDAOPTPN1
SCHEMBL11181948 0.82 TLR4 (0.47) TLR4MAOAMAOBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
WO-2012074128-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-07 WO disclosed
EP-1874301-A4 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2009-05-06 EP disclosed
US-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha AMOREPACIFIC CORPORATION (KR) 2009-02-05 US disclosed
US-20080125310-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 US disclosed
US-7323604-B2 Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
EP-1874301-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2008-01-09 EP disclosed
EP-1841729-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA Amorepacific Corporation (KR) 2007-10-10 EP disclosed
WO-2006113150-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2006-10-26 WO disclosed
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-20 US disclosed
WO-2006059867-A1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORPORATION (KR) 2006-06-08 WO 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 (4 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-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 TLR4 4849/4885MAOA 437/4885MAOB 1121/4885
US-20090036501-A1 2-Cyclopenten-1-One Oxime Derivatives Inhibiting Production of TNF-Alpha TNF, PDE4A, PDE3B TLR4 780/4885MAOA 386/4885MAOB 485/4885
US-20090054423-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment FFAR1, HCAR1, GPR119 TLR4 1308/4885MAOA 860/4885MAOB 629/4885
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts ECH1, CBR1, DHCR24 TLR4 4134/4885MAOA 1209/4885MAOB 801/4885

“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.