SCHEMBL2847801

SCHEMBL2847801

Cc1ccccc1CCCc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.37
CHRM2 P08172 1/20 0.37
DAO P14920 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
HTR2A P28223 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL1231042 0.89 TAAR1 (0.50) TAAR1ALDH1A1CHRM2DAOCA12
SCHEMBL31500447 0.84 TAAR1 (0.54) TAAR1ALDH1A1CHRM2PTGER1PTGER4
SCHEMBL2353922 0.84 TAAR1 (0.54) TAAR1ALDH1A1CHRM2PTGER1PTGER4
SCHEMBL6546881 0.82 TAAR1 (0.65) TAAR1ALDH1A1CHRM2DAOCA12
SCHEMBL27472295 0.81 TAAR1 (0.50) TAAR1ALDH1A1CA12CA1CA2
SCHEMBL28602103 0.80 TAAR1 (0.43) TAAR1ALDH1A1CHRM2HTR2AHPGD
SCHEMBL6546802 0.79 TAAR1 (0.52) TAAR1ALDH1A1
SCHEMBL13276099 0.78 TAAR1 (0.47) TAAR1ALDH1A1CHRM2HTR2A
SCHEMBL9799345 0.78 MAOB (0.57) TAAR1HTR2ACYP19A1
SCHEMBL2844470 0.78 TAAR1 (0.47) TAAR1ALDH1A1

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 13 patents. 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-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 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
EP-2646150-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME Takasago International Corporation (JP) 2013-10-09 EP disclosed
EP-2647616-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2013-10-09 EP disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 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
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
EP-2457655-A2 Catalyst for asymmetric hydrogenation comprising peptides and method for manufacturing optically active carbonyl compound using the same Takasago International Corporation (JP) 2012-05-30 EP disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US 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 TAAR1 2410/4885ALDH1A1 223/4885CHRM2 736/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 TAAR1 3121/4885ALDH1A1 122/4885CHRM2 2019/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 TAAR1 2467/4885ALDH1A1 61/4885CHRM2 1237/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 TAAR1 2809/4885ALDH1A1 79/4885CHRM2 112/4885

“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.