SCHEMBL10024968

SCHEMBL10024968

CP(CN)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
TAAR1 Q96RJ0 7/20 0.36
HTR2A P28223 2/20 0.35
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH1 P35367 1/20 0.32
TP53 P04637 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 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
SCHEMBL13391635 0.78 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2TP53
SCHEMBL10785234 0.78 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2TP53
SCHEMBL9441831 0.78 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2TP53
SCHEMBL2782005 0.76 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2TP53
SCHEMBL9492996 0.74 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2TP53
Bromide SCHEMBL493074 0.74 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2TP53
SCHEMBL14315744 0.74 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2TP53
Bromide SCHEMBL8602057 0.74 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2TP53
Iodide SCHEMBL491999 0.74 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2TP53
Hydrochloric Acid SCHEMBL493348 0.74 TDP1 (0.41) CYP3A4TDP1ESR1ESR2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716508-B2 Method for preparing a metal catalyst KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-05-06 US disclosed
US-20120046479-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-02-23 US 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-20120046479-A1 METHOD FOR PREPARING A METAL CATALYST INPP5B, DNPEP, AOC1 CYP3A4 2744/4885TDP1 1106/4885ESR1 2681/4885

“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.