SCHEMBL3345139

SCHEMBL3345139

CC(C)(C)OC(=O)N[C@H]1CCC(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.50
CTSL P07711 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
PDE4B Q07343 1/20 0.43
SYK P43405 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HPGD P15428 1/20 0.40
FKBP1A P62942 1/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL741378 1.00 CPB1 (0.50) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL3345137 1.00 CPB1 (0.50) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL716913 1.00 CPB1 (0.50) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL14169340 0.86 ALDH1A1 (0.58) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL4265690 0.85 CPB1 (0.55) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL23871461 0.85 ALDH1A1 (0.54) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL18544185 0.85 ALDH1A1 (0.54) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL18544476 0.85 ALDH1A1 (0.54) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL18544213 0.85 ALDH1A1 (0.54) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL18544475 0.85 ALDH1A1 (0.54) CPB1CTSLKMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL CPB1 507/4885CTSL 1845/4885KMT2A 2546/4885

“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.