SCHEMBL19795899

SCHEMBL19795899

CCN(/C=C(\C(C)=O)c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
HCRTR2 O43614 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 3/20 0.39
ESRRG P62508 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL19795949 0.94 KMT2A (0.41) NPC1RAB9AKMT2AMEN1CES2
SCHEMBL19795961 0.91 ALDH1A1 (0.43) NPC1KMT2AMEN1CES2CES1
SCHEMBL19795925 0.87 ESRRG (0.40) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL19796009 0.87 ALDH1A1 (0.42) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL19795922 0.85 HPGD (0.44) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL19041287 0.84 CES2 (0.51) NPC1RAB9AKMT2AMEN1CES2
SCHEMBL19796014 0.84 HTT (0.41) KMT2AMEN1CES2CES1MAPT
SCHEMBL19795955 0.84 ALDH1A1 (0.40) KMT2AMEN1CES2CES1MAPT
SCHEMBL19795937 0.84 CA12 (0.38) KMT2ACES1MAPTALDH1A1HPGD
SCHEMBL19796017 0.84 CA12 (0.39) NPC1RAB9AKMT2AMEN1CES2

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 NPC1 316/4885RAB9A 1580/4885KMT2A 2823/4885

“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.