SCHEMBL17737795

SCHEMBL17737795

CC(C)(C)OC(=O)NCCC(=O)c1cccc(OC(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 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
SCHEMBL16150967 0.89 KDM4E (0.43) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL27821331 0.87 KDM4E (0.46) KMT2AMAPTALDH1A1KDM4EGLA
SCHEMBL942893 0.84 IDO1 (0.51) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL17737799 0.81 HTR1A (0.41) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL17737797 0.81 THRB (0.54) KMT2AMAPTGAA
SCHEMBL16079979 0.80 CTNNB1 (0.49) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL2166736 0.80 NQO2 (0.56) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL16079978 0.79 TP53BP1 (0.48) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL6239081 0.79 CTSS (0.44) KMT2AMAPTALDH1A1KDM4EGLA
SCHEMBL13323959 0.79 L3MBTL1 (0.49) KMT2AMAPTALDH1A1KDM4EGLA

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-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-12 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-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1C, ADH1A, ADH5 KMT2A 3483/4885MAPT 3963/4885ALDH1A1 82/4885

“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.