SCHEMBL5197253

SCHEMBL5197253

CC[C@H]1O[C@@H]1C(=O)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
GSK3B P49841 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL5196216 0.88 TAS1R3 (0.46) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL5193727 0.85 HDAC3 (0.46) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL5194956 0.84 PNLIP (0.48) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL5195527 0.83 PNLIP (0.50) NPC1RAB9AALDH1A1GAAKMT2A
SCHEMBL5194486 0.83 PNLIP (0.50) NPC1RAB9AALDH1A1GAAKMT2A
SCHEMBL5196379 0.83 PNLIP (0.50) NPC1RAB9AALDH1A1GAAKMT2A
SCHEMBL5196680 0.83 PNLIP (0.50) NPC1RAB9AALDH1A1GAAKMT2A
SCHEMBL1499503 0.80 EPHX1 (0.55) CES2CES1ALDH1A1KMT2AMAPK1
SCHEMBL5195290 0.80 EPHX1 (0.55) CES2CES1ALDH1A1KMT2AMAPK1
SCHEMBL5197014 0.80 CES2 (0.53) NPC1RAB9ACES2CES1ALDH1A1

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 NPC1 1480/4885RAB9A 931/4885CES2 1285/4885

“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.