SCHEMBL18296346

SCHEMBL18296346

Oc1cccc(-c2cc(O)c3cc(N4CCOCC4)ccc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.56
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AHR P35869 1/20 0.50
KIF11 P52732 1/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
NPC1 O15118 1/20 0.49
HCRTR1 O43613 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
AKT1 P31749 1/20 0.49

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
SCHEMBL18296357 0.89 KIF11 (0.46) PIK3CAHSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL18294643 0.89 AHR (0.54) PIK3CAHSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL18296607 0.87 KDM4E (0.56) PIK3CAHSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL27939568 0.87 PIK3CA (0.53) PIK3CAHSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL18294648 0.83 AHR (0.58) PIK3CAHSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL18294650 0.82 CDK1 (0.52) PIK3CAHSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL18294638 0.82 AHR (0.60) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL18294647 0.82 TDO2 (0.56) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL18296610 0.80 JAK2 (0.58) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL18296636 0.80 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDMAPK1

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-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC. (TW) 2016-12-08 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-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TEK, FLT1, VHL PIK3CA 1829/4885HSD17B1 1579/4885HSD17B2 1178/4885

“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.