SCHEMBL20106695

SCHEMBL20106695

COc1ccc(CCc2nc3ccccc3[nH]2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.78
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
NTRK1 P04629 6/20 0.58
NTRK2 Q16620 5/20 0.58
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
MAPK10 P53779 1/20 0.56
PDE10A Q9Y233 1/20 0.53
PKM P14618 1/20 0.53
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL18535239 0.88 POLB (1.00) POLBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL16148234 0.81 POLB (0.54) POLBNPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL16148690 0.81 POLB (0.81) POLBNPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL30902074 0.79 RAB9A (0.69) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL26113669 0.79 RAB9A (0.69) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16369265 0.78 RAB9A (0.64) POLBNPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL230157 0.77 POLB (0.84) POLBNPC1RAB9AMAPTPDE10A
SCHEMBL8957996 0.77 NPC1 (0.76) POLBNPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL9015206 0.76 RAB9A (0.79) POLBNPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL16147271 0.76 NTRK1 (0.64) POLBNPC1RAB9ASMN1; SMN2NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 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-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA POLB 1354/4885NPC1 4173/4885RAB9A 4497/4885

“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.