SCHEMBL13334166

SCHEMBL13334166

COc1cc2cc(-c3ccc(O)c(O)c3)nc(C)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 4/20 1.00
KDM4E B2RXH2 7/20 0.70
MAPT P10636 4/20 0.70
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
GAA P10253 6/20 0.63
POLB P06746 3/20 0.63
ALDH1A1 P00352 5/20 0.60
CXCL12 P48061 1/20 0.46
RECQL P46063 2/20 0.45
GFER P55789 1/20 0.45
ESR2 Q92731 2/20 0.43
HPGD P15428 2/20 0.43
ESR1 P03372 1/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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 SCHEMBL3318735 0.99 RAC1 (1.00) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL3321436 0.91 RAC1 (0.84) RAC1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3318470 0.90 RAC1 (0.85) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL7822956 0.85 KDM4E (0.83) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL7819936 0.85 RAC1 (0.73) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL3321880 0.82 KDM4E (0.80) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL195376 0.82 RAC1 (0.69) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL196289 0.82 RAC1 (0.69) RAC1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3318463 0.81 KDM4E (0.78) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL3324961 0.81 KDM4E (1.00) RAC1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RAC1 1/4885KDM4E 3958/4885MAPT 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.