SCHEMBL658196

SCHEMBL658196

O=C(CCc1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.68
MAPT P10636 4/20 0.54
GRM5 P41594 1/20 0.54
HPGD P15428 3/20 0.52
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
LMNA P02545 3/20 0.48

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
SCHEMBL29579676 1.00 PDPK1 (0.68) PDPK1MAPTGRM5HPGDPLAAT3
SCHEMBL12515494 0.90 PDPK1 (0.55) PDPK1MAPTNR4A2
SCHEMBL3682650 0.84 TP53 (0.50) PDPK1MAPTNPC1RAB9AMEN1
SCHEMBL5318479 0.83 MAPT (0.57) PDPK1MAPTHPGDNR4A1NR4A2
SCHEMBL11695916 0.83 TDP1 (0.52) PDPK1MAPTGRM5HPGDPLAAT3
SCHEMBL7195008 0.81 GRM5 (0.49) PDPK1MAPTGRM5HPGDNR4A2
SCHEMBL586345 0.81 PDPK1 (0.59) PDPK1HPGDPLAAT3PLAAT5PLAAT2
SCHEMBL30567601 0.81 PDPK1 (0.59) PDPK1HPGDPLAAT3PLAAT5PLAAT2
SCHEMBL657331 0.81 PDPK1 (1.00) PDPK1MAPTHPGDPLAAT3PLAAT5
SCHEMBL657332 0.81 PDPK1 (1.00) PDPK1MAPTHPGDPLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111499503-B Method for synthesizing alpha-alkylated ketone in water 南京理工大学 2022-04-08 CN disclosed
CN-111499503-A Method for synthesizing α -alkylated ketone in water 南京理工大学 2020-08-07 CN disclosed
CN-106478325-B A method of synthesis alpha-alkyl ketone 南京理工大学 2019-06-25 CN disclosed
CN-106478395-B A kind of method of iridium catalyzed synthesizing alpha-alkyl ketone 南京理工大学 2019-06-25 CN disclosed
CN-105439787-B Method for synthesizing α -alkyl ketone 南京理工大学 2018-02-13 CN disclosed
CN-106478325-A A kind of method of synthesis alpha-alkyl ketone 南京理工大学 2017-03-08 CN disclosed
CN-106478395-A A kind of method of iridium catalyzed synthesizing alpha-alkyl ketone 南京理工大学 2017-03-08 CN disclosed
CN-104557500-B A kind of method of synthetic alpha-alkyl ketone NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-05-18 CN disclosed
CN-105439787-A Method for synthesizing alpha-alkyl ketone UNIV NANJING SCIENCE & TECH 2016-03-30 CN disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
CN-104557500-A Method for synthesizing alpha-alkyl ketone UNIV NANJING SCIENCE & TECH 2015-04-29 CN disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB PDPK1 109/4885MAPT 964/4885GRM5 2836/4885

“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.