SCHEMBL4080976

SCHEMBL4080976

CC(C)(C)[Si](C)(C)OCCN(CCOS(C)(=O)=O)c1cc(C(N)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HCAR3 P49019 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2973810 0.89 MAPT (0.40) CYP3A4MAPTBLMPMP22HCAR3
SCHEMBL13338194 0.85 HCAR3 (0.45) CYP3A4MAPTBLMPMP22HCAR3
SCHEMBL2970711 0.84 MAPT (0.37) CYP3A4MAPTBLMPMP22HCAR3
SCHEMBL2975715 0.84 MAPT (0.37) CYP3A4MAPTBLMPMP22HCAR3
SCHEMBL2966410 0.84 MAPT (0.39) CYP3A4MAPTBLMPMP22HCAR3
SCHEMBL2969402 0.79 HCAR3 (0.43) HCAR3THRBKDM4EALDH1A1
SCHEMBL4080977 0.79 CYP3A4 (0.31) CYP3A4MAPTBLMPMP22
SCHEMBL2966761 0.78 VCAM1 (0.43) MAPTHCAR3THRBKDM4EALDH1A1
SCHEMBL13202995 0.74 CYP3A4 (0.33) CYP3A4MAPTBLMPMP22
SCHEMBL2977036 0.73 NPC1 (0.40) CYP3A4HCAR3THRBKDM4EALDH1A1

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
US-20090130020-A1 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS BAYER SCHERING PHARMA AG (DE) 2009-05-21 US disclosed
WO-2009033584-A2 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO disclosed
EP-2036578-A1 Diagnostic agents for positron emission imaging using F-18 radio labeled amino-alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 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-20090130020-A1 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS ADH1A, ADH5, FABP1 CYP3A4 3880/4885MAPT 832/4885BLM 2773/4885

“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.