SCHEMBL3514534

SCHEMBL3514534

[CH]=Cc1ccc(C)c(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 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
SCHEMBL7046008 0.78 KDM4E (0.35) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL1509713 0.77 TRPA1 (0.42) KDM4EMAPTCYP1A2CYP2A6TSHR
SCHEMBL1613096 0.76 KDM4E (0.34) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL6534927 0.75 ALDH1A1 (0.33)
SCHEMBL366594 0.74 ALDH1A1 (0.48) KDM4EMAPTCYP1A2CYP2A6TSHR
SCHEMBL16957541 0.74 KDM4E (0.38) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL57999 0.74 MAPT (0.33) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL5494672 0.72 TSHR (0.45) KDM4EMAPTMAPK1CYP1A2CYP2A6
SCHEMBL37955 0.72 TSHR (0.45) KDM4EMAPTMAPK1CYP1A2CYP2A6
Ethylene SCHEMBL27864741 0.72 KDM4E (0.32) KDM4EMAPTMAPK1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647744-B2 Graphite clay composite material, process for producing the same, gasket or packing comprising the composite material, and clay dispersion used for the composite material NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2014-02-11 US disclosed
US-20100267778-A1 Diphenyl ether compound, process for producing the same, and use ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US disclosed
US-20090295103-A1 GRAPHITE CLAY COMPOSITE MATERIAL, PROCESS FOR PRODUCING THE SAME, GASKET OR PACKING COMPRISING THE COMPOSITE MATERIAL, AND CLAY DISPERSION USED FOR THE COMPOSITE MATERIAL NATIONAL INSTITUTE OF ACVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-12-03 US disclosed
CN-101432135-A Graphite clay composite, process for producing the same, gasket or packing based on the composite, and clay dispersion liquid used for the composite NAT INST OF ADVANCED IND SCIEN (JP) 2009-05-13 CN disclosed
US-20080033033-A1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. 2008-02-07 US disclosed
US-7256211-B1 8-azaprostaglandin derivatives and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-14 US disclosed
US-20070167490-A1 Imino ether derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO LTD 2007-07-19 US disclosed
US-20070105959-A1 Cynnamyl alcohol derivative compounds and drugs containing the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
CN-1787989-A Imino ether derivative compound and medicine containing the same as active ingredient ONO PHARMACEUTICAL CO (JP) 2006-06-14 CN disclosed
EP-1661879-A1 DIPHENYL ETHER COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP disclosed
EP-1604971-A1 CINNAMYL ALCOHOL DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 EP disclosed
EP-1602642-A1 IMINO ETHER DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-07 EP disclosed
EP-1586564-A1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICINAL USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-19 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 (4 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-20070167490-A1 Imino ether derivative compounds and drugs containing the compounds as the active ingredient INSR, NR1H2, NR1H3 KDM4E 2453/4885MAPT 4616/4885MAPK1 1551/4885
US-20100267778-A1 Diphenyl ether compound, process for producing the same, and use PPARG, PPARD, PPARA KDM4E 1577/4885MAPT 4535/4885MAPK1 591/4885
US-20080033033-A1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICAL USE THEREOF HPGDS, PTGIS, PTGER4 KDM4E 2594/4885MAPT 1798/4885MAPK1 1378/4885
US-20070105959-A1 Cynnamyl alcohol derivative compounds and drugs containing the compounds as active ingredient LPL, GPR119, EBP KDM4E 2165/4885MAPT 2722/4885MAPK1 907/4885

“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.