SCHEMBL9609529

SCHEMBL9609529

COC(C)(C)CCCC(C)=CC=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL10246556 0.80 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9609528 0.79 ALDH1A1 (0.45) ALDH1A1
SCHEMBL1783818 0.76 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL1783814 0.76 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL2834863 0.76 LMNA (0.47) ALDH1A1LMNACYP3A4TDP1
SCHEMBL10967643 0.76 CYP3A4 (0.41) ALDH1A1LMNACYP3A4TDP1
SCHEMBL10967647 0.76 CYP3A4 (0.41) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11550602 0.75 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11550598 0.75 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4TDP1
SCHEMBL10639638 0.74 ALDH1A1 (0.31) ALDH1A1LMNACYP3A4TDP1

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 19 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-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
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
WO-2011108672-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2011-09-09 WO 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
US-4749814-A CATALYTIC ISOMERIZATION OF ACETYLENIC ALCOHOLS RHONE-POULENC SANTE (FR) 1988-06-07 US disclosed
US-4055634-A ALUMINUM ALKOXIDE HOFFMANN-LA ROCHE, INC. (US) 1977-10-25 US disclosed
US-3994936-A Catalytic rearrangement HOFFMANN-LA ROCHE INC. (US) 1976-11-30 US disclosed
US-3981896-A CONVERSION OF ACETYLENIC ALCOHOLS TO ALDEHYDES AND KETONES HOFFMANN-LA ROCHE INC. (US) 1976-09-21 US disclosed
US-3953524-A Catalytic hydrogenation of alpha,beta-unsaturated aldehydes to alpha,beta-unsaturated alcohols HOFFMANN-LA ROCHE INC. (US) 1976-04-27 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 ALDH1A1 223/4885LMNA 3206/4885CYP3A4 1880/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 ALDH1A1 122/4885LMNA 3552/4885CYP3A4 2400/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 ALDH1A1 61/4885LMNA 3062/4885CYP3A4 1284/4885
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND TPSD1, QDPR, TALDO1 ALDH1A1 14/4885LMNA 1807/4885CYP3A4 373/4885

“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.