SCHEMBL4152114

SCHEMBL4152114

C=Cc1cccc(OC)c1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 9/20 0.46
TP53 P04637 4/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
CBFB Q13951 1/20 0.46
ERN1 O75460 1/20 0.44
APLNR P35414 1/20 0.44
NFE2L2 Q16236 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL5462166 0.83 SMN1; SMN2 (0.55) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL4147124 0.83 KDM4E (0.52) KDM4ERAB9ANPC1MAPTMAPK1
SCHEMBL4159067 0.81 NFE2L2 (0.59) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL4159062 0.81 NFE2L2 (0.59) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL4151216 0.79 KDM4E (0.43) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL28249887 0.78 KDM4E (0.57) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL15618043 0.77 APLNR (0.55) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL31175960 0.76 LMNA (0.56) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL1207404 0.76 SYK (0.53) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL14909 0.73 NFE2L2 (0.55) KDM4ERAB9ANPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212048-B2 Method of producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 US disclosed
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 US 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-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND AHR, CYP1A1, ARNT KDM4E 3177/4885RAB9A 3067/4885NPC1 1177/4885

“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.