SCHEMBL18551784

SCHEMBL18551784

COc1ccc2cc(-c3ccc(C)o3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
GSTP1 P09211 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP1A2 P05177 2/20 0.46
ABCB1 P08183 1/20 0.46

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
SCHEMBL13680560 0.83 GSK3B (0.59) GSK3BNPC1RAB9AALDH1A1MAPT
SCHEMBL17215007 0.81 HSD17B1 (0.51) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL13990243 0.81 ALDH1A1 (0.70) GSK3BNPC1RAB9AALDH1A1MAPT
SCHEMBL17215003 0.80 SMN1; SMN2 (0.49) GSK3BHSD17B1HSD17B2GSTP1NPC1
SCHEMBL18539942 0.80 HSD17B1 (0.50) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL12051687 0.77 HSD17B1 (0.83) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL11723032 0.77 HSD17B1 (0.83) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL3513959 0.76 GSK3B (0.45) GSK3BRAB9AALDH1A1MAPTHPGD
SCHEMBL13680589 0.74 GSK3B (0.39) GSK3BNPC1RAB9AALDH1A1HPGD
SCHEMBL22106285 0.73 HSD17B1 (0.76) HSD17B1HSD17B2GSTP1NPC1RAB9A

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-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 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-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 GSK3B 1642/4885HSD17B1 4498/4885HSD17B2 4152/4885

“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.