SCHEMBL3157476

SCHEMBL3157476

COC(=O)CC1(CC(=O)OC(C)(C)C)CC2CCCC21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.32
BTK Q06187 1/20 0.31
EPHX1 P07099 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL6733425 0.89 CYP1A2 (0.32) BTK
SCHEMBL3149019 0.86 CYP1A2 (0.32) EPHX1
SCHEMBL3147169 0.84 CYP1A2 (0.37)
SCHEMBL3165427 0.84 CYP1A2 (0.37)
SCHEMBL3258056 0.84 CYP1A2 (0.37)
SCHEMBL13451214 0.81 CYP1A2 (0.37) EPHX2
SCHEMBL3151613 0.81 CYP1A2 (0.37) EPHX2
SCHEMBL13450807 0.76
SCHEMBL13451155 0.76
SCHEMBL8347018 0.74 HPGD (0.39) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP disclosed
US-20040092591-A1 Therapeutic use of fused bicyclic or tricyclic amino acids BLAKEMORE DAVID CLIVE (GB) 2004-05-13 US disclosed
US-20030078300-A1 Fused bicyclic or tricyclic amino acids PFIZER INC. 2003-04-24 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 (2 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-20030078300-A1 Fused bicyclic or tricyclic amino acids AADAT, SLC1A2, BCAT1 EPHX2 1685/4885BTK 3398/4885EPHX1 2158/4885
US-20040092591-A1 Therapeutic use of fused bicyclic or tricyclic amino acids BCAT1, BCAT2, AADAT EPHX2 2575/4885BTK 2264/4885EPHX1 3685/4885

“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.