SCHEMBL9609547

SCHEMBL9609547

O=C1C=C(C2CCCCC2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.50
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DAO P14920 2/20 0.34
PTPN1 P18031 2/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
CDC25B P30305 1/20 0.34
KMT2A Q03164 2/20 0.33
CEL P19835 1/20 0.32
MT-CO2 P00403 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
SCHEMBL1022576 0.89 TLR4 (0.52) TLR4MAPTALDH1A1MAOAMAOB
SCHEMBL5201714 0.87 TLR4 (0.55) TLR4MAPTMAOAMAOBDAO
SCHEMBL1021749 0.86 TLR4 (0.53) TLR4MAPTALDH1A1MAOAMAOB
SCHEMBL7640959 0.85 TLR4 (0.48) TLR4MAPTALDH1A1MAOAMAOB
SCHEMBL7640330 0.85 TLR4 (0.48) TLR4MAPTALDH1A1MAOAMAOB
SCHEMBL7640433 0.85 TLR4 (0.48) TLR4MAPTALDH1A1MAOAMAOB
SCHEMBL7640144 0.85 TLR4 (0.48) TLR4MAPTALDH1A1MAOAMAOB
SCHEMBL7638703 0.85 TLR4 (0.48) TLR4MAPTALDH1A1MAOAMAOB
SCHEMBL7635039 0.85 TLR4 (0.48) TLR4MAPTALDH1A1MAOAMAOB
SCHEMBL11181948 0.84 TLR4 (0.47) TLR4MAPTALDH1A1MAOAMAOB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 US disclosed
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 US disclosed
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
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 TLR4 4851/4885MAPT 2035/4885ALDH1A1 223/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 TLR4 4850/4885MAPT 1810/4885ALDH1A1 122/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 TLR4 4849/4885MAPT 1870/4885ALDH1A1 61/4885
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND TPSD1, QDPR, TALDO1 TLR4 2704/4885MAPT 573/4885ALDH1A1 14/4885

“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.