SCHEMBL340990

SCHEMBL340990

O=C1CC(c2ccccc2OCc2ccccc2)=Nc2ccc(N3CCOCC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
PRKDC P78527 7/20 0.52
ATM Q13315 2/20 0.52
CYP3A4 P08684 1/20 0.45
LRRK2 Q5S007 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
PIK3CG P48736 1/20 0.45
P2RY12 Q9H244 1/20 0.41
AGXT P21549 1/20 0.41
KIF11 P52732 3/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL339659 0.91 LRRK2 (0.43) CNR1CNR2PRKDCATMLRRK2
SCHEMBL339151 0.86 MAPT (0.50) CNR2PRKDCCYP3A4LRRK2ALDH1A1
SCHEMBL340813 0.85 PRKDC (0.52) PRKDCATMALDH1A1TSHRHSD17B10
SCHEMBL341204 0.85 MAPT (0.45) CNR1CNR2PRKDCATMCYP3A4
SCHEMBL340708 0.84 PRKDC (0.54) PRKDCATMCYP3A4LRRK2SLCO1B1
SCHEMBL339603 0.80 PRKDC (0.43) PRKDCPIK3CGKIF11
SCHEMBL339317 0.79 MAPT (0.44) CNR2PRKDCCYP3A4ALDH1A1TSHR
SCHEMBL340264 0.76 GSTP1 (0.45) PRKDC
SCHEMBL339270 0.76 S1PR1 (0.43) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL341007 0.76 MAPT (0.51) LRRK2ALDH1A1TSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 EP disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 CNR1 1140/4885CNR2 812/4885PRKDC 4128/4885

“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.