SCHEMBL4556093

SCHEMBL4556093

C=C(C)c1cc(C)c(C(=O)OC)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
MAPT P10636 6/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
DAO P14920 2/20 0.39
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
STAT1 P42224 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL13994843 0.86 ALOX15 (0.44) ALOX15MAPTKMT2ATSHRHSD17B10
SCHEMBL12272115 0.84 MAPT (0.57) ALOX15MAPTKMT2ATSHRHSD17B10
SCHEMBL2027674 0.76 MAPT (0.47) ALOX15MAPTKMT2ATSHRHSD17B10
SCHEMBL20503275 0.74 CDC25B (0.43) ALOX15GAA
SCHEMBL14670271 0.73 MAPT (0.44) ALOX15MAPTKMT2ATSHRHSD17B10
SCHEMBL13545971 0.73 MAPT (0.44) ALOX15MAPTKMT2ATSHRHSD17B10
SCHEMBL26281532 0.73 KMT2A (0.44) ALOX15MAPTKMT2ATSHRHSD17B10
SCHEMBL21152503 0.73 MAPT (0.44) ALOX15MAPTKMT2ATSHRHSD17B10
SCHEMBL2730725 0.73 MAPT (0.44) ALOX15MAPTKMT2ATSHRHSD17B10
SCHEMBL381164 0.73 MAPK14 (0.52) ALOX15MAPTKMT2ATSHRHSD17B10

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-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 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-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT ALOX15 2517/4885MAPT 1631/4885KMT2A 761/4885

“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.