SCHEMBL1139917

SCHEMBL1139917

CCOC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1COc1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 6/20 0.39
CA12 O43570 6/20 0.39
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR4 Q5NUL3 4/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.34

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
SCHEMBL1140003 0.91 FFAR4 (0.41) MAPTFFAR4ALDH1A1TSHR
SCHEMBL1140480 0.91 FFAR4 (0.39) FFAR4
SCHEMBL1140644 0.89 CA1 (0.41) CA1CA2CA9CA12NPC1
SCHEMBL1139923 0.83 CA1 (0.36) CA1CA2CA9CA12DRD2
SCHEMBL1140080 0.81 CA1 (0.33) CA1CA2CA9CA12
SCHEMBL1139941 0.80 MAPT (0.37) CA1CA2CA9CA12MAPT
SCHEMBL24242829 0.79 CA1 (0.35) CA1CA2CA9CA12MAPT
SCHEMBL12855792 0.79 CA1 (0.35) CA1CA2CA9CA12MAPT
SCHEMBL1934037 0.79 CA1 (0.35) CA1CA2CA9CA12MAPT
SCHEMBL12855832 0.79 CA1 (0.35) CA1CA2CA9CA12MAPT

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-2440521-B1 NOVEL CYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-04-30 EP disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed
US-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 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-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES TBXA2R, ADORA1, CNR1 CA1 2621/4885CA2 1983/4885CA9 2610/4885

“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.