SCHEMBL10200052

SCHEMBL10200052

O=C(O)c1cc(CO)cc(OCc2ccccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
SMN1; SMN2 Q16637 2/20 0.67
TSHR P16473 1/20 0.67
NR4A2 P43354 5/20 0.65
NR4A1 P22736 1/20 0.61
NR4A3 Q92570 1/20 0.61
SRD5A2 P31213 2/20 0.57
MRGPRX4 Q96LA9 6/20 0.55
P2RY14 Q15391 1/20 0.54
PLA2G4B P0C869 1/20 0.54
MAOB P27338 1/20 0.54
GCK P35557 1/20 0.52
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL1426961 0.89 MEN1 (1.00) MEN1KMT2ASMN1; SMN2TSHRNR4A2
SCHEMBL862870 0.89 MEN1 (0.93) MEN1KMT2ASMN1; SMN2TSHRNR4A2
SCHEMBL27681012 0.88 MEN1 (0.74) MEN1KMT2ASMN1; SMN2TSHRNR4A2
SCHEMBL10200059 0.88 MEN1 (0.60) MEN1KMT2ASMN1; SMN2TSHRNR4A2
Hydrochloric Acid SCHEMBL6841086 0.87 MEN1 (0.96) MEN1KMT2ASMN1; SMN2TSHRNR4A2
SCHEMBL3132629 0.85 LMNA (0.62) MEN1KMT2ASMN1; SMN2TSHRNR4A2
SCHEMBL4910012 0.85 MEN1 (0.62) MEN1KMT2ASMN1; SMN2TSHRNR4A2
SCHEMBL3271153 0.85 CYP4F2 (0.61) MEN1KMT2ASMN1; SMN2TSHRNR4A2
SCHEMBL7358147 0.84 MEN1 (0.79) MEN1KMT2ASMN1; SMN2TSHRNR4A2
SCHEMBL2570286 0.84 MEN1 (0.84) MEN1KMT2ASMN1; SMN2TSHRNR4A2

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 MEN1 2493/4885KMT2A 2015/4885SMN1; SMN2 3441/4885

“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.