SCHEMBL3397274

SCHEMBL3397274

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.61
EPHX1 P07099 3/20 0.57
ALDH1A1 P00352 8/20 0.54
TSHR P16473 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7998364 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL7998362 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL7991614 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL7991612 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL5712935 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL23255563 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL1665360 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL3424391 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL21610695 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT
SCHEMBL79841 1.00 CYP19A1 (0.61) CYP19A1EPHX1ALDH1A1TSHRMAPT

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 CYP19A1 3685/4885EPHX1 1932/4885ALDH1A1 2138/4885

“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.