SCHEMBL2097489

SCHEMBL2097489

COC(=O)C1(O)c2ccccc2-c2ccc(Cl)cc21.[SiH3]O[SiH2]O[SiH3]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.43
TDP1 Q9NUW8 2/20 0.38
THRB P10828 1/20 0.38
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 1/20 0.37
HPGD P15428 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
S1PR1 P21453 1/20 0.35
NTSR1 P30989 1/20 0.35

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
SCHEMBL29359326 0.91 PDK2 (0.50) PDK2TDP1THRBGAAPOLB
SCHEMBL8827312 0.91 PDK2 (0.50) PDK2TDP1THRBGAAPOLB
SCHEMBL124841 0.91 PDK2 (0.50) PDK2TDP1THRBGAAPOLB
SCHEMBL8539410 0.86 THRB (0.55) PDK2TDP1THRBGAAPOLB
SCHEMBL29827101 0.84 PDK2 (0.47) PDK2GAAAKR1A1AKR1B1LMNA
SCHEMBL1982326 0.84 PDK2 (0.47) PDK2GAAAKR1A1AKR1B1LMNA
SCHEMBL29663083 0.78 THRB (0.59) PDK2TDP1THRBGAAPOLB
SCHEMBL3245527 0.78 THRB (0.59) PDK2TDP1THRBGAAPOLB
SCHEMBL3956404 0.77 PDK2 (0.38) PDK2TDP1THRBGAAPOLB
SCHEMBL9671734 0.75 PDK2 (0.51) PDK2TDP1THRBGAAPOLB

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-9788551-B2 Liquid preparation for biological plant protection, method for producing it and use thereof Bayer CropScience Biologies GmbH (DE) 2017-10-17 US disclosed
US-20140212387-A1 LIQUID PREPARATION FOR BIOLOGICAL PLANT PROTECTION, METHOD FOR PRODUCING IT AND USE THEREOF DANSTAR FERMENT AG (CH) 2014-07-31 US disclosed
US-8163673-B2 Non-foaming organic surfactants as additives for tank mixture preparations in crop protection EVONIK GOLDSCHMIDT GMBH (DE) 2012-04-24 US disclosed
US-20100105555-A1 NON-FOAMING ORGANIC SURFACTANTS AS ADDITIVES FOR TANK MIXTURE PREPARATIONS IN CROP PROTECTION EVONIK DEGUSSA GMBH (DE) 2010-04-29 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 (1 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-20100105555-A1 NON-FOAMING ORGANIC SURFACTANTS AS ADDITIVES FOR TANK MIXTURE PREPARATIONS IN CROP PROTECTION NONO, MGLL, GK PDK2 2222/4885TDP1 1629/4885THRB 1561/4885

“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.