SCHEMBL1162264

SCHEMBL1162264

C=Cc1cc[c]c(-c2ncc[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.40
MTOR P42345 1/20 0.40
ADK P55263 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
BRD4 O60885 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
SCHEMBL7764574 0.76 NISCH (0.39) NISCHMTORADKALDH1A1MEN1
SCHEMBL28436215 0.73 NISCH (0.58) NISCHMTORADKALDH1A1MEN1
SCHEMBL7391931 0.72 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
SCHEMBL13693224 0.70 CSNK1A1 (0.39) NISCHMTORADKALDH1A1MEN1
SCHEMBL1162270 0.70 TRPA1 (0.40) NISCHMTORADKALDH1A1KDM4E
SCHEMBL295727 0.69 NISCH (0.52) NISCHMTORADKALDH1A1MEN1
Styrene SCHEMBL2804062 0.69 NISCH (0.57) NISCHMTORADKALDH1A1MEN1
SCHEMBL2093036 0.69 MTOR (0.44) NISCHMTORADKALDH1A1MEN1
SCHEMBL4006962 0.67 CASP6 (0.34) NISCHMTORADKALDH1A1MEN1
SCHEMBL15563778 0.66

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-2462172-A1 MOLECULARLY IMPRINTED POLYMERS, METHODS FOR THEIR PRODUCTION AND USES THEREOF Monash University (AU) 2012-06-13 EP disclosed
WO-2011014923-A1 MOLECULARLY IMPRINTED POLYMERS, METHODS FOR THEIR PRODUCTION AND USES THEREOF MONASH UNIVERSITY (AU) 2011-02-10 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 NISCH 503/4885MTOR 4129/4885ADK 4063/4885

“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.