SCHEMBL3403159

SCHEMBL3403159

CCOc1ccccc1-c1ncc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.58
PDE5A O76074 6/20 0.54
GUSB P08236 1/20 0.49
CSNK1A1 P48729 1/20 0.46
TYRO3 Q06418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MTOR P42345 1/20 0.46
ADK P55263 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PPARG P37231 1/20 0.46
STAT3 P40763 1/20 0.46
NCOA2 Q15596 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PTPRC P08575 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE1A P54750 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
SCHEMBL31429630 0.84 PLG (0.50) ADRA1APDE5ACSNK1A1TYRO3DYRK1B
SCHEMBL3403152 0.83 ADRA1A (0.54) ADRA1APDE5ACSNK1A1TYRO3DYRK1B
SCHEMBL29360270 0.83 ADRA1A (0.54) ADRA1APDE5ACSNK1A1TYRO3DYRK1B
SCHEMBL8541523 0.83 ADRA1A (0.54) ADRA1APDE5ACSNK1A1TYRO3DYRK1B
SCHEMBL8540973 0.83 ADRA1A (0.54) ADRA1APDE5ACSNK1A1TYRO3DYRK1B
SCHEMBL8538755 0.80 ADRA1A (0.52) ADRA1APDE5ACSNK1A1TYRO3DYRK1B
SCHEMBL8542558 0.80 ADRA1A (0.52) ADRA1APDE5ACSNK1A1TYRO3DYRK1B
SCHEMBL8536434 0.80 ADRA1A (0.54) ADRA1APDE5ACSNK1A1TYRO3DYRK1B
SCHEMBL8541279 0.80 ADRA1A (0.54) ADRA1ACSNK1A1TYRO3DYRK1BMTOR
SCHEMBL8540508 0.79 ADRA1A (0.51) ADRA1APDE5ACSNK1A1TYRO3DYRK1B

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-20120225962-A1 MOLECULARLY IMPRINTED POLYMERS, METHODS FOR THEIR PRODUCTION AND USES THEREOF MONASH UNIVERSITY (AU) 2012-09-06 US disclosed
EP-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 EP disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 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 (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-20120225962-A1 MOLECULARLY IMPRINTED POLYMERS, METHODS FOR THEIR PRODUCTION AND USES THEREOF MPI, IDE, NPEPPS ADRA1A 4495/4885PDE5A 814/4885GUSB 225/4885

“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.