SCHEMBL146182

SCHEMBL146182

CC(C)NC(C)C.CCC(N)(O)CC

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL669529 0.80
Ammonia Solution, Strong SCHEMBL9540508 0.76
SCHEMBL9789789 0.70
Alcohol SCHEMBL1199528 0.70 TDP1 (0.61) TDP1
Ethylamine SCHEMBL612047 0.70 TDP1 (0.61) TDP1
SCHEMBL19100254 0.68
Tert-Butanol SCHEMBL6369756 0.67 TDP1 (0.57) TDP1
SCHEMBL27666502 0.67
SCHEMBL28021736 0.66 TDP1 (0.67) TDP1
Hydrogen Peroxide SCHEMBL135017 0.65 TDP1 (0.80) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058057-A1 Anti-dandruff Agents MERCK PATENT GMBH (DE) 2012-03-08 US claimed
US-20120058057-A1 Anti-dandruff Agents MERCK PATENT GMBH (DE) 2012-03-08 US disclosed
WO-2010136105-A2 AMMONIUMCARBOXYLATES MERCK PATENT GMBH (DE) 2010-12-02 WO disclosed
WO-2010136104-A2 ANTI-DANDRUFF AGENTS MERCK PATENT GMBH (DE) 2010-12-02 WO disclosed
US-20100119461-A1 ANTIMICROBIAL COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 US disclosed
CN-101588722-A The antimicrobial compositions that comprises zinc oxide, barium sulfate and silver ion MERCK PATENT GMBH (DE) 2009-11-25 CN disclosed
EP-2112882-A2 ANTIMICROBIAL COMPOSITION COMPRISING ZINC OXIDE, BARIUM SULPHATE AND SILVER IONS Merck Patent GmbH (DE) 2009-11-04 EP disclosed
WO-2008089822-A2 ANTIMICROBIAL COMPOSITION COMPRISING ZINC OXIDE, BARIUM SULPHATE AND SILVER IONS MERCK PATENT GMBH (DE) 2008-07-31 WO 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 (2 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-20100119461-A1 ANTIMICROBIAL COMPOSITION ZFR, SOD1, NISCH TDP1 3272/4885
US-20120058057-A1 Anti-dandruff Agents POLR1C, ETF1, PIK3C3 TDP1 968/4885

“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.