SCHEMBL7202507

SCHEMBL7202507

CC(B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 2/20 0.36
LMNA P02545 1/20 0.36
IDO1 P14902 2/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL8892831 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7155811 0.71 ALDH1A1 (0.35) HPGDALDH1A1CYP3A4CYP2C19
SCHEMBL7050212 0.69 TDP1 (0.33) GAAHPGDALDH1A1CYP3A4CYP2C19
SCHEMBL7115387 0.67 EPHX2 (0.36) GAAEPHX1LMNAHPGDALDH1A1
SCHEMBL7112162 0.65 TAAR1 (0.38) L3MBTL1EPHX1LMNAALDH1A1CYP2C19
SCHEMBL29054020 0.64 GAA (0.55) GAAL3MBTL1EPHX1LMNAIDO1
SCHEMBL27821886 0.64 GAA (0.55) GAAL3MBTL1EPHX1LMNAIDO1
SCHEMBL4603729 0.64 GAA (0.55) GAAL3MBTL1EPHX1LMNAIDO1
SCHEMBL8910818 0.63 POLB (0.31) RAB9A
SCHEMBL9501528 0.63 ALDH1A1 (0.42) GAAL3MBTL1EPHX1LMNAIDO1

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-20030220267-A1 Borinic acid protease inhibitors YALE UNIVERSITY 2003-11-27 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-20030220267-A1 Borinic acid protease inhibitors CMA1, CPA1, TPSAB1 GAA 95/4885L3MBTL1 1988/4885EPHX1 654/4885

“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.