SCHEMBL9609538

SCHEMBL9609538

[C-]#[N+]c1ccc(C(C)=CC(C)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
LTB4R Q15722 7/20 0.33
LTB4R2 Q9NPC1 7/20 0.33
DEGS1 O15121 1/20 0.33
TBXAS1 P24557 2/20 0.32
GLA P06280 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL838030 0.77 MAPT (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9609544 0.77 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9609511 0.75 ALDH1A1 (0.52) HDAC1HDAC6NR4A1NR4A2NR4A3
SCHEMBL12921562 0.75 ALDH1A1 (0.52) HDAC1HDAC6NR4A1NR4A2NR4A3
SCHEMBL14731820 0.75 ALDH1A1 (0.52) HDAC1HDAC6NR4A1NR4A2NR4A3
SCHEMBL9609510 0.74 CES2 (0.50) NR4A1NR4A2NR4A3
SCHEMBL4937598 0.74 CES2 (0.50) NR4A1NR4A2NR4A3
SCHEMBL11488743 0.74 CES2 (0.50) NR4A1NR4A2NR4A3
SCHEMBL7665741 0.74 NOS1 (0.48) NR4A1NR4A2NR4A3TDP1
SCHEMBL6130314 0.74 CES2 (0.50) NR4A1NR4A2NR4A3

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 4 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
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

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 HDAC3 3207/4885HDAC4 2215/4885HDAC1 1700/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 HDAC3 2236/4885HDAC4 1688/4885HDAC1 890/4885

“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.