SCHEMBL5196397

SCHEMBL5196397

COc1ccc(C(=O)[C@H]2O[C@@H]2C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
CHRM2 P08172 3/20 0.47
CHRM4 P08173 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 2/20 0.45
P2RX3 P56373 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5608300 0.83 HTT (0.42) MAPK1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5195766 0.80 EPHX1 (0.50) RAB9ANPC1KMT2AGAAPOLB
SCHEMBL4611341 0.77 NPC1 (0.75) MAPK1RAB9ANPC1CHRM2CHRM4
SCHEMBL9135757 0.77 NPC1 (0.75) MAPK1RAB9ANPC1CHRM2CHRM4
SCHEMBL5197014 0.75 CES2 (0.53) MAPK1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL9136904 0.75 NPC1 (0.77) MAPK1RAB9ANPC1CHRM2CHRM4
P-Anisic Acid SCHEMBL28143586 0.73 CA1 (0.71) MAPK1RAB9ANPC1GAACASP3
SCHEMBL5608981 0.73 POLB (0.46) RAB9ANPC1ALDH1A1KMT2AGAA
SCHEMBL3367257 0.72 NPC1 (0.77) MAPK1RAB9ANPC1CHRM2CHRM4
SCHEMBL5608890 0.71 KMT2A (0.42) RAB9ANPC1ALDH1A1KMT2AGAA

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 MAPK1 297/4885RAB9A 931/4885NPC1 1480/4885

“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.