SCHEMBL5196680

SCHEMBL5196680

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.50
GRM2 Q14416 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CYP1A1 P04798 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G4B P0C869 1/20 0.40
MMP9 P14780 4/20 0.40
MMP13 P45452 4/20 0.40
ADAM17 P78536 4/20 0.40
MMP1 P03956 3/20 0.40
KDM2B Q8NHM5 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
SCHEMBL5195527 1.00 PNLIP (0.50) PNLIPGRM2HDAC3HDAC1HDAC2
SCHEMBL5196379 1.00 PNLIP (0.50) PNLIPGRM2HDAC3HDAC1HDAC2
SCHEMBL5194486 1.00 PNLIP (0.50) PNLIPGRM2HDAC3HDAC1HDAC2
SCHEMBL5194956 0.99 PNLIP (0.48) PNLIPGRM2HDAC3HDAC1HDAC2
SCHEMBL5193727 0.94 HDAC3 (0.46) PNLIPHDAC3HDAC1HDAC2CYP1A1
SCHEMBL5196216 0.89 TAS1R3 (0.46) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL5196840 0.83 CTSK (0.47) TP53KMT2A
SCHEMBL5197134 0.83 CTSK (0.47) TP53KMT2A
SCHEMBL5196344 0.83 CTSK (0.47) TP53KMT2A
SCHEMBL5194663 0.83 CTSK (0.47) TP53KMT2A

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 PNLIP 3354/4885GRM2 4362/4885HDAC3 1977/4885

“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.