SCHEMBL6416045

SCHEMBL6416045

CCC(=O)OC(C)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
EPHX2 P34913 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LTC4S Q16873 1/20 0.40

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
SCHEMBL14393827 0.89 KMT2A (0.42) CYP2C9CYP2C19HPGDHTTKMT2A
SCHEMBL20083856 0.86 KMT2A (0.43) CYP2C9CYP2C19HPGDHTTKMT2A
SCHEMBL15203274 0.85 KMT2A (0.45) KMT2AMEN1LMNAL3MBTL1EPHX2
SCHEMBL3716250 0.83 ALDH1A1 (0.46) CYP2C9CYP2C19HPGDHTTKMT2A
SCHEMBL5932125 0.82 ALDH1A1 (0.44) CYP2C9CYP2C19HPGDHTTKMT2A
SCHEMBL5932136 0.82 ALDH1A1 (0.45) CYP2C9CYP2C19HPGDHTTKMT2A
SCHEMBL7515731 0.82 ALDH1A1 (0.44) CYP2C9CYP2C19HPGDHTTKMT2A
SCHEMBL9375305 0.81 EPHX2 (0.39) CYP2C9CYP2C19ALDH1A1CYP1A2EPHX2
SCHEMBL5933190 0.81 ALDH1A1 (0.43) CYP2C9CYP2C19HPGDHTTKMT2A
SCHEMBL17209569 0.81 ALOX5 (0.48) CYP2C9CYP2C19KMT2AMEN1LMNA

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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols WASHINGTON UNIVERSITY 2005-11-17 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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols ADH5, DBI, ADH1A CYP2C9 941/4885CYP2C19 1130/4885HPGD 360/4885

“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.