SCHEMBL9112833

SCHEMBL9112833

CC(C)[Si](Oc1ccc([N+](=O)[O-])cc1)(C(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
HTT P42858 2/20 0.46
HSPB1 P04792 1/20 0.46
HSD17B10 Q99714 3/20 0.45
ACHE P22303 2/20 0.45
CYP3A4 P08684 3/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL4576085 0.91 PTGS2 (0.47) GAAHTTHSPB1CYP3A4ALDH1A1
SCHEMBL1585099 0.79 HSD17B10 (0.50) GAAHTTHSPB1HSD17B10ACHE
SCHEMBL30528036 0.77 IDO1 (0.54) ALDH1A1LMNACA1CA2CA9
SCHEMBL9320810 0.75 MEN1 (0.54) GAAHTTHSPB1HSD17B10ACHE
SCHEMBL4778707 0.75 KMT2A (0.67) GAAHTTHSPB1HSD17B10ACHE
SCHEMBL2770853 0.74 ATM (0.49) HTTHSPB1CYP3A4ALDH1A1LMNA
SCHEMBL4686044 0.73 HTT (0.45) GAAHTTHSPB1HSD17B10ACHE
SCHEMBL4498261 0.73 GAA (0.51) GAAHTTHSPB1HSD17B10ACHE
SCHEMBL27855209 0.73 HSD17B10 (0.64) HSD17B10ACHECYP3A4MAPK1ALDH1A1
SCHEMBL16455142 0.72 LMNA (0.52) GAAHTTHSPB1HSD17B10ACHE

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-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 GAA 223/4885HTT 2526/4885HSPB1 2921/4885

“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.