SCHEMBL10200119

SCHEMBL10200119

COc1cc(OP(C)(=O)OCc2ccccc2)cc(-c2cc(OP(=O)(OCc3ccccc3)OCc3ccccc3)c3cc4c(cc3n2)OCO4)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.38
ALDH1A1 P00352 10/20 0.38
HPGD P15428 9/20 0.38
MAPT P10636 8/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
LMNA P02545 6/20 0.38
HTT P42858 2/20 0.38
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
EDNRA P25101 1/20 0.37
DHODH Q02127 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL10200459 0.92 HPGD (0.35) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL339858 0.90 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL18294654 0.90 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13232475 0.88 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL15233229 0.88 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13232467 0.79 MAPT (0.40) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13232463 0.77 NPC1 (0.36) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL10200098 0.77 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL340641 0.75 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US 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 (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 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.