SCHEMBL339858

SCHEMBL339858

COc1cc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc(-c2cc(OP(=O)(O)O)c3cc4c(cc3n2)OCO4)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.39
HPGD P15428 11/20 0.39
ALDH1A1 P00352 10/20 0.39
MAPT P10636 9/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
THRB P10828 1/20 0.39
EDNRA P25101 1/20 0.37
GAA P10253 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TP53 P04637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL339857 0.94 KDM4E (0.39) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10200119 0.90 KDM4E (0.38) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL18294654 0.88 KDM4E (0.40) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL13232475 0.86 ALDH1A1 (0.49) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL15233229 0.86 KDM4E (0.37) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10200459 0.82 HPGD (0.35) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL2796397 0.81 MAPT (0.47) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL13232467 0.78 MAPT (0.40) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL13232463 0.76 NPC1 (0.36) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10200098 0.76 ALDH1A1 (0.37) KDM4EHPGDALDH1A1MAPTSMN1; 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 12 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 claimed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US claimed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US claimed
EP-3302488-B1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC (TW) 2020-09-30 EP disclosed
US-9717721-B2 Use of aryl-quinolin derivatives as inhibitors of vasculogenic mimicry TAIRX, INC. (TW) 2017-08-01 US disclosed
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
US-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC. (TW) 2016-12-08 US 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
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 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 (2 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 KDM4E 1014/4885HPGD 303/4885ALDH1A1 1091/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 KDM4E 4748/4885HPGD 1841/4885ALDH1A1 1258/4885

“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.