SCHEMBL9609772

SCHEMBL9609772

Cc1cccn(CCC(C)C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.47
ALDH1A1 P00352 1/20 0.46
PKM P14618 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
SCHEMBL1345646 0.90 PKM (0.41) GRM2ALDH1A1PKM
SCHEMBL1345895 0.85 PKM (0.40) GRM2ALDH1A1PKM
SCHEMBL29161590 0.80 PKM (0.40) GRM2ALDH1A1PKM
SCHEMBL1346196 0.79 PKM (0.46) GRM2PKM
SCHEMBL24597279 0.78 PKM (0.45) ALDH1A1PKM
SCHEMBL21384021 0.78 PKM (0.49) PKM
SCHEMBL18270116 0.77 ALDH1A1 (0.39) GRM2ALDH1A1
SCHEMBL22824347 0.76 CNR2 (0.46) GRM2ALDH1A1PKM
SCHEMBL20704738 0.75 PKM (0.43) ALDH1A1PKM
SCHEMBL12264183 0.75 HTR2C (0.45) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8481446-B2 Chemically-resistant coating composition VENTANA RESEARCH CORPORATION 2013-07-09 US disclosed
US-8481446-B2 Chemically-resistant coating composition VENTANA RESEARCH CORPORATION 2013-07-09 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed
WO-2011142838-A2 CHEMICALLY-RESISTANT COATING COMPOSITION LOMBARID JOHN L (US) 2011-11-17 WO disclosed
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION VENTANA RESEARCH CORPORATION 2010-11-04 US disclosed
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION VENTANA RESEARCH CORPORATION 2010-11-04 US disclosed
WO-2010118180-A1 FABRICS COMPRISING A PHOTOCATALYST TO PRODUCE SINGLET OXYGEN FROM AMBIENT OXYGEN LOMBARDI JOHN L (US) 2010-10-14 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-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION DNMT1, VCL, DNMT3L GRM2 2620/4885ALDH1A1 1103/4885PKM 1536/4885

“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.