SCHEMBL339690

SCHEMBL339690

COc1cc(OCc2ccccc2)cc(C(=O)Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
MAOB P27338 4/20 0.58
GLRA1 P23415 1/20 0.57
MRGPRX4 Q96LA9 2/20 0.55
NR4A2 P43354 2/20 0.54
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
SMPD1 P17405 2/20 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
SCHEMBL1795022 0.92 MEN1 (0.75) MEN1KMT2AMAOBGLRA1MRGPRX4
SCHEMBL26574732 0.89 MEN1 (0.70) MEN1KMT2AMAOBGLRA1MRGPRX4
SCHEMBL29788233 0.88 MEN1 (0.84) MEN1KMT2AMAOBMRGPRX4NR4A2
SCHEMBL340452 0.88 MEN1 (0.84) MEN1KMT2AMAOBMRGPRX4NR4A2
SCHEMBL3488635 0.86 MEN1 (0.58) MEN1KMT2AMAOBGLRA1MRGPRX4
SCHEMBL340311 0.85 LMNA (0.65) MEN1KMT2AMAOBMRGPRX4NR4A2
SCHEMBL29788280 0.85 LMNA (0.65) MEN1KMT2AMAOBMRGPRX4NR4A2
SCHEMBL28515116 0.85 MEN1 (0.60) MEN1KMT2AMAOBGLRA1MRGPRX4
SCHEMBL23906959 0.84 MAOB (0.79) MEN1KMT2AMAOBMRGPRX4RAB9A
SCHEMBL16137683 0.84 MEN1 (0.62) MEN1KMT2AMAOBGLRA1MRGPRX4

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 MEN1 2493/4885KMT2A 2015/4885MAOB 1858/4885

“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.