SCHEMBL9609511

SCHEMBL9609511

CC(=O)C=C(C)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
LMNA P02545 3/20 0.52
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
HPGD P15428 3/20 0.52
PKM P14618 2/20 0.52
ATM Q13315 2/20 0.52
NLRP1 Q9C000 1/20 0.52
MEN1 O00255 1/20 0.52
NTSR1 P30989 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.46
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL14731820 1.00 ALDH1A1 (0.52) ALDH1A1LMNACES2CES1HTT
SCHEMBL12921562 1.00 ALDH1A1 (0.52) ALDH1A1LMNACES2CES1HTT
SCHEMBL15784370 0.84 ALDH1A1 (0.61) ALDH1A1LMNACES2CES1HTT
SCHEMBL9613249 0.84 NR4A1 (0.61) ALDH1A1LMNACES2CES1HTT
SCHEMBL12883158 0.84 NR4A1 (0.61) ALDH1A1LMNACES2CES1HTT
SCHEMBL29831721 0.81 ALDH1A1 (0.47) ALDH1A1LMNACES2CES1HTT
SCHEMBL30586729 0.81 ALDH1A1 (0.47) ALDH1A1LMNACES2CES1HTT
SCHEMBL11488743 0.80 CES2 (0.50) ALDH1A1LMNACES2CES1NPSR1
SCHEMBL7665741 0.80 NOS1 (0.48) ALDH1A1TDP1KMT2AMAPTNR4A1
SCHEMBL9609510 0.80 CES2 (0.50) ALDH1A1LMNACES2CES1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2543437-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2013-01-09 EP 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
WO-2011108672-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2011-09-09 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 (2 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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 ALDH1A1 122/4885LMNA 3552/4885CES2 2776/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 ALDH1A1 61/4885LMNA 3062/4885CES2 1807/4885

“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.