SCHEMBL3394329

SCHEMBL3394329

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.53
ALDH1A1 P00352 7/20 0.49
HPGD P15428 1/20 0.49
CYP19A1 P11511 2/20 0.48
LMNA P02545 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TRPM8 Q7Z2W7 3/20 0.42
TSHR P16473 2/20 0.42
TRPA1 O75762 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL23243835 1.00 EPHX1 (0.53) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL29617381 1.00 EPHX1 (0.53) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL20559002 1.00 EPHX1 (0.53) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL30078348 0.94 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL21610579 0.94 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL23256074 0.94 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL293955 0.88 EPHX1 (0.56) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL28808883 0.88 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL16194851 0.84 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL6387314 0.84 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105682-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-04-29 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 (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-20100105682-A1 CYCLOPROPYL-PIPERAZINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1B, CACNA1F EPHX1 1932/4885ALDH1A1 2138/4885HPGD 1136/4885

“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.