SCHEMBL3322960

SCHEMBL3322960

COc1cc2c(cc1OC)CN(Cc1cccc(OC)c1OC)CC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.71
TSHR P16473 2/20 0.71
MAPT P10636 2/20 0.71
KMT2A Q03164 2/20 0.61
DRD3 P35462 1/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 2/20 0.58
ALOX15 P16050 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ABCB1 P08183 5/20 0.57
PDE4B Q07343 1/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
ABCC1 P33527 2/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
CA2 P00918 1/20 0.54

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
Hydrochloric Acid SCHEMBL3320118 0.99 KDM4E (0.70) KDM4ETSHRMAPTKMT2ADRD3
SCHEMBL3049241 0.92 DRD3 (0.71) KDM4ETSHRMAPTDRD3TDP1
SCHEMBL3059563 0.89 REV1 (0.66) KDM4ETSHRMAPTKMT2ADRD3
SCHEMBL6132005 0.88 KDM4E (0.59) KDM4ETSHRMAPTKMT2ADRD3
SCHEMBL3058767 0.87 KDM4E (0.55) KDM4ETSHRMAPTKMT2ADRD3
SCHEMBL3041492 0.87 CA9 (0.69) KDM4ETSHRMAPTKMT2ADRD3
SCHEMBL3324219 0.82 KDM4E (0.63) KDM4ETSHRMAPTKMT2ADRD3
SCHEMBL10421792 0.82 POLB (0.62) KDM4ETSHRMAPTKMT2ADRD3
SCHEMBL4762852 0.82 PDE4B (0.79) KDM4ETSHRMAPTKMT2APOLB
SCHEMBL10753092 0.82 POLB (0.62) KDM4ETSHRMAPTKMT2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185521-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES Exonhit Therapeutics SA (FR) 2010-05-19 EP disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
WO-2009007457-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2009-01-15 WO disclosed
WO-2009007457-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2009-01-15 WO disclosed
EP-2014651-A1 Compounds and methods for modulating Rho GTPases Exonhit Therapeutics SA (FR) 2009-01-14 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-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES RAC1, RAC2, RAC3 KDM4E 3958/4885TSHR 4376/4885MAPT 2679/4885

“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.