SCHEMBL15317892

SCHEMBL15317892

CC(=O)NOC(=O)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
POLB P06746 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42

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
SCHEMBL27752785 0.82 MAPT (0.49) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL13604004 0.82 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL1107202 0.82 ALDH1A1 (0.68) TDP1ALDH1A1KMT2AMAPTLMNA
SCHEMBL7645360 0.80 ALDH1A1 (0.66) TDP1ALDH1A1KMT2AMAPTLMNA
SCHEMBL12274416 0.79 TDP1 (0.65) TDP1ALDH1A1KMT2AMAPTGAA
SCHEMBL27417865 0.78 PARP1 (0.55) KMT2AMAPTGAAPOLBHDAC6
SCHEMBL12067923 0.78 TDP1 (0.53) TDP1ALDH1A1KMT2AMAPTGAA
SCHEMBL28170494 0.78 POLB (0.79) TDP1ALDH1A1KMT2AMAPTGAA
SCHEMBL12067919 0.77 TDP1 (0.52) TDP1ALDH1A1KMT2AMAPTGAA
4-Methylbenzoic Acid Methyl Ester SCHEMBL10539663 0.76 TDP1 (1.00) TDP1ALDH1A1KMT2AMAPTGAA

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-8987504-B2 Aminohydroxylation of alkenes VICTORIA LINK LIMITED (NZ) 2015-03-24 US disclosed
US-20130274479-A1 AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 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-20130274479-A1 AMINOHYDROXYLATION OF ALKENES ALKBH3, ALKBH1, ALKBH2 TDP1 3768/4885ALDH1A1 197/4885KMT2A 1657/4885

“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.