SCHEMBL339857

SCHEMBL339857

COc1cc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc(-c2cc(OP(=O)(Oc3cc(-c4cc(OC)cc(OP(=O)(OCc5ccccc5)OCc5ccccc5)c4)nc4cc5c(cc34)OCO5)Oc3cc(-c4cc(OC)cc(OP(=O)(OCc5ccccc5)OCc5ccccc5)c4)nc4cc5c(cc34)OCO5)c3cc4c(cc3n2)OCO4)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.39
ALDH1A1 P00352 10/20 0.39
HPGD P15428 9/20 0.39
MAPT P10636 8/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
LMNA P02545 6/20 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
DHODH Q02127 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
EDNRA P25101 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL10200119 0.94 KDM4E (0.38) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL339858 0.94 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL18294654 0.92 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13232475 0.90 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL15233229 0.90 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL10200459 0.86 HPGD (0.35) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13232467 0.81 MAPT (0.40) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13232463 0.79 NPC1 (0.36) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL10200098 0.79 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL340641 0.77 EDNRA (0.35) KDM4EALDH1A1HPGDMAPTSMN1; 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 10 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
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
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 (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 1014/4885ALDH1A1 1091/4885HPGD 303/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 KDM4E 4748/4885ALDH1A1 1258/4885HPGD 1841/4885

“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.