SCHEMBL6316393

SCHEMBL6316393

O=C(OCc1ccc(Oc2ccccc2)cc1)C(O)Cc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NAMPT P43490 1/20 0.50
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
LTA4H P09960 1/20 0.44
LAP3 P28838 1/20 0.44
GRM2 Q14416 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR132 Q9UNW8 1/20 0.43
MEN1 O00255 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6310921 0.88 NAMPT (0.52) LMNAKMT2ATDP1NAMPTKDM4E
SCHEMBL6394358 0.79 PSMB5 (0.48) LMNAKMT2ATDP1NAMPTMAPT
SCHEMBL3069625 0.79 LMNA (0.45) LMNAKMT2ATDP1NAMPTGRM2
SCHEMBL7046944 0.77 ALDH1A1 (0.55) LMNAKMT2ATDP1ALDH1A1LTA4H
SCHEMBL262278 0.77 ALDH1A1 (0.55) LMNAKMT2ATDP1ALDH1A1LTA4H
SCHEMBL4219709 0.77 ALDH1A1 (0.55) LMNAKMT2ATDP1ALDH1A1LTA4H
SCHEMBL6316387 0.76 LMNA (0.45) LMNAKMT2ATDP1NAMPTRAB9A
SCHEMBL27854776 0.76 LTA4H (0.71) LMNALTA4HLAP3PPARGPPARA
SCHEMBL18039180 0.76 CYP1A2 (0.50) LMNAKMT2AKDM4EALDH1A1MAPK1
SCHEMBL5752788 0.76 KMT2A (0.68) LMNAKMT2ATDP1NAMPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR LMNA 3281/4885KMT2A 1213/4885TDP1 2709/4885

“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.