SCHEMBL3687337

SCHEMBL3687337

[CH]1Cc2cccc(-c3cccs3)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 1/20 0.49
CDK5 Q00535 1/20 0.49
MST1R Q04912 1/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
KDR P35968 1/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 2/20 0.37
MET P08581 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 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
SCHEMBL972896 0.75 KDR (0.54) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL11084798 0.71 LTK (0.49) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL359381 0.71 HTR1A (0.55) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL28809874 0.70 LTK (0.48) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL9722816 0.69 PRCP (0.49) HTR1AHTR7
SCHEMBL7212806 0.69 KDM4E (0.50) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL20829471 0.69 LTK (0.43) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL995326 0.69 LTA4H (0.55) LTKCDK5MST1RDYRK1ACLK4
Fluorene SCHEMBL387977 0.69 KDR (0.54) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL6268125 0.68 KDR (0.43) LTKCDK5MST1RDYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1792889-B1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2015-03-04 EP disclosed
EP-1547995-B1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2014-05-07 EP disclosed
US-7741511-B2 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-22 US disclosed
US-7399873-B2 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-15 US disclosed
US-20080033194-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS SOUDA HIROSHI 2008-02-07 US disclosed
US-20080009648-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS SOUDA HIROSHI 2008-01-10 US disclosed
EP-1792889-A2 Process for the preparation of carboxylic acid esters Sumitomo Chemical Company, Limited (JP) 2007-06-06 EP disclosed
EP-1547995-A1 Process for the preparation of carboxylic acid esters Sumitomo Chemical Company, Limited (JP) 2005-06-29 EP disclosed
US-20050113581-A1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED 2005-05-26 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 (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-20050113581-A1 Process for the preparation of carboxylic acid esters ACSL6, ALKBH3, ACSL1 LTK 983/4885CDK5 4354/4885MST1R 3471/4885
US-20080033194-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 LTK 983/4885CDK5 4354/4885MST1R 3471/4885
US-20080009648-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 LTK 983/4885CDK5 4354/4885MST1R 3471/4885

“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.