SCHEMBL3339455

SCHEMBL3339455

OC1CCCCCC[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
TSHR P16473 1/20 0.50
SLC18A3 Q16572 3/20 0.42
GSR P00390 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.35
EPHX1 P07099 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1857246 1.00
SCHEMBL371486 1.00 CA1 (0.53) CA1CA2CA4TSHRSLC18A3
SCHEMBL1849613 1.00 CA1 (0.53) CA1CA2CA4TSHRSLC18A3
SCHEMBL740271 1.00
SCHEMBL560334 1.00 CA1 (0.53) CA1CA2CA4TSHRSLC18A3
SCHEMBL594309 1.00 CA1 (0.53) CA1CA2CA4TSHRSLC18A3
SCHEMBL765400 1.00
SCHEMBL3339811 1.00
SCHEMBL13894718 1.00 CA1 (0.53) CA1CA2CA4TSHRSLC18A3
SCHEMBL1773898 1.00 CA1 (0.53) CA1CA2CA4TSHRSLC18A3

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-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
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL CA1 2523/4885CA2 4508/4885CA4 4174/4885

“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.