SCHEMBL1785996

SCHEMBL1785996

CCCCCCCC=C(C)C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
EP300 Q09472 1/20 0.52
FAAH O00519 4/20 0.46
TRPV1 Q8NER1 1/20 0.46
TERT O14746 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
BLM P54132 2/20 0.41
HSD17B10 Q99714 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
PPARG P37231 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL31132221 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TERT
SCHEMBL1130218 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TERT
SCHEMBL1129940 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TERT
SCHEMBL3689071 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TERT
SCHEMBL1130215 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TERT
SCHEMBL1129943 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TERT
SCHEMBL1785247 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TERT
SCHEMBL3689070 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TERT
SCHEMBL1129285 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TERT
SCHEMBL29083517 1.00 TSHR (0.52) TSHREP300FAAHTRPV1TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957437-B1 PROCESS FOR PRODUCING ALPHA,BETA-UNSATURATED ALDEHYDE COMPOUNDS KAO CORP (JP) 2017-05-03 EP 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-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-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 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
CN-101316809-B Process for producing alpha,beta-unsaturated aldehyde compounds KAO CORP 2012-07-25 CN 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
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-20090171124-A1 PROCESS FOR PRODUCING ALPHA, BETA-UNSATURATED ALDEHYDE COMPOUNDS KAO CORPORATION (JP) 2009-07-02 US disclosed
CN-101316809-A Process for producing alpha,beta-unsaturated aldehyde compounds KAO CORP (JP) 2008-12-03 CN disclosed
EP-1957437-A1 PROCESS FOR PRODUCING ALPHA,BETA-UNSATURATED ALDEHYDE COMPOUNDS Kao Corporation (JP) 2008-08-20 EP disclosed
WO-2007063703-A1 PROCESS FOR PRODUCING α,β-UNSATURATED ALDEHYDE COMPOUNDS KAO CORPORATION (JP) 2007-06-07 WO disclosed
US-20060052276-A1 Armoise Tunisian oil, para-t-butylphenylacetonitrile, dihydrolinalol, N-ethyl-N-(3-methylphenyl)propionamide, 4-(5-ethylbicyclo[2.2.1]heptyl-2)-cyclohexanol, ethyltricyclo[5.2.1.0{2,6}]decane-2-carboxylate; inhibiting the biotransformation of androstadienols to androstenones QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-03-09 US disclosed
EP-1523543-A1 IMPROVEMENTS IN OR RELATING TO PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2005-04-20 EP disclosed
WO-2004009750-A1 IMPROVEMENTS IN OR RELATING TO PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-01-29 WO disclosed
EP-0274379-B1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 US disclosed
EP-0274379-A2 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-13 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 (3 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-20090171124-A1 PROCESS FOR PRODUCING ALPHA, BETA-UNSATURATED ALDEHYDE COMPOUNDS ADH1C, ADH1A, ADH5 TSHR 4189/4885EP300 1822/4885FAAH 194/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 TSHR 4664/4885EP300 3495/4885FAAH 423/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 TSHR 4820/4885EP300 2253/4885FAAH 390/4885

“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.