SCHEMBL5197014

SCHEMBL5197014

COc1ccc(C(=O)[C@H]2O[C@@H]2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
MAPK1 P28482 2/20 0.47
PLK1 P53350 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.46
GSK3B P49841 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL28354884 0.80 EPHX1 (0.72) CES2CES1RAB9ANPC1CA1
SCHEMBL5197253 0.80 NPC1 (0.47) CES2CES1RAB9ANPC1CA1
SCHEMBL5194434 0.80 RAB9A (0.47) CES2CES1RAB9ANPC1CA1
SCHEMBL5196216 0.77 TAS1R3 (0.46) CES2CES1RAB9ANPC1CA1
SCHEMBL6047458 0.76 EPHX1 (0.62) CES2CES1KMT2AALDH1A1MAPT
SCHEMBL5194624 0.76 EPHX1 (0.62) CES2CES1KMT2AALDH1A1MAPT
SCHEMBL7109022 0.76 EPHX1 (0.72) CES2CES1RAB9ANPC1CA1
SCHEMBL8114278 0.76 HPGD (0.57) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL5193727 0.75 HDAC3 (0.46) CES2CES1RAB9ANPC1CA1
SCHEMBL5196397 0.75 MAPK1 (0.52) CES2CES1RAB9ANPC1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 EP disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 EP 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-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES CES2 1285/4885CES1 193/4885RAB9A 931/4885

“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.