SCHEMBL19796014

SCHEMBL19796014

CCN(/C=C(\C(C)=O)c1ccccc1)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLOD1 Q02809 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
SLC6A2 P23975 2/20 0.38
CYP19A1 P11511 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL19795961 0.90 ALDH1A1 (0.43) HTTALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL19795927 0.85 HTT (0.56) HTTALDH1A1PLOD2CYP1A2CYP3A4
SCHEMBL19795899 0.84 NPC1 (0.41) ALDH1A1HPGDCYP3A4KMT2AMEN1
SCHEMBL19803819 0.84 HTT (0.38) HTTALDH1A1HPGDPLOD2PLOD3
SCHEMBL19795925 0.83 ESRRG (0.40) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL19796009 0.83 ALDH1A1 (0.42) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL19795955 0.83 ALDH1A1 (0.40) HTTALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL19795949 0.82 KMT2A (0.41) ALDH1A1HPGDCYP3A4KMT2AMEN1
SCHEMBL19795901 0.81 KMT2A (0.46) HTTALDH1A1HPGDPLOD2PLOD3
SCHEMBL19795950 0.81 KMT2A (0.43) HTTALDH1A1HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 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-20180022693-A1 COMPOUNDS ERCC4, NQO1, ERCC5 HTT 3217/4885ALDH1A1 981/4885HPGD 444/4885

“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.