SCHEMBL2789529

SCHEMBL2789529

Oc1ccccc1-c1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
SCN4A P35499 1/20 0.52
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DYRK1A Q13627 1/20 0.47
MEN1 O00255 1/20 0.47
APP P05067 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
SNCA P37840 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL12470403 0.89 ILK (0.56) KDM4ENPC1MAPTRAB9ANPSR1
SCHEMBL27768432 0.84 MAPT (0.67) KDM4ENPC1MAPTRAB9ANPSR1
SCHEMBL27769367 0.83 MAPT (0.65) KDM4ENPC1MAPTRAB9ANPSR1
SCHEMBL28513192 0.83 KDM4E (0.61) EPHX2SCN4AKDM4ENPC1MAPT
SCHEMBL13522891 0.83 RAB9A (0.64) KDM4ENPC1MAPTRAB9ANPSR1
SCHEMBL13866532 0.81 KDM4E (0.56) KDM4ENPC1MAPTRAB9ANPSR1
SCHEMBL5416207 0.81 MAPT (0.69) KDM4ENPC1MAPTRAB9ANPSR1
SCHEMBL30810246 0.81 EPHX2 (0.50) EPHX2SCN4AKDM4EMAPTNPSR1
SCHEMBL13866522 0.80 RAB9A (0.58) KDM4ENPC1MAPTRAB9ANPSR1
Hydrochloric Acid SCHEMBL30810214 0.80 EPHX2 (0.49) EPHX2SCN4AKDM4EMAPTNPSR1

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-20100152455-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-06-17 US disclosed
EP-2092040-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME Gracel Display Inc. (KR) 2009-08-26 EP disclosed
WO-2008082249-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2008-07-10 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-20100152455-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME EPCAM, ORC3, L1CAM EPHX2 198/4885SCN4A 3265/4885KDM4E 1193/4885

“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.