SCHEMBL14958898

SCHEMBL14958898

CCCCOC(=O)/C=C/c1cncc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.56
ATM Q13315 1/20 0.50
HCAR2 Q8TDS4 2/20 0.45
ALOX5 P09917 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ESR1 P03372 1/20 0.42
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL17974436 0.87 CA12 (0.54) APPHCAR2ALOX5ESR1TTR
SCHEMBL14960207 0.85 APP (0.55) APPATMHCAR2ALOX5SMN1; SMN2
SCHEMBL27866402 0.83 APP (0.58) APPATMHCAR2ALOX5HPGD
SCHEMBL10054822 0.83 APP (0.58) APPATMHCAR2ALOX5HPGD
SCHEMBL22961507 0.80 APP (0.58) APPATMHCAR2ALOX5HPGD
SCHEMBL18608171 0.80 APP (0.65) APPATMALOX5TTRDPP4
SCHEMBL6794964 0.79 APP (0.68) APPATMHCAR2ESR1TTR
SCHEMBL6794960 0.79 APP (0.68) APPATMHCAR2ESR1TTR
SCHEMBL4621246 0.78 L3MBTL1 (0.57) APPATMLMNA
SCHEMBL4621254 0.78 L3MBTL1 (0.57) APPATMLMNA

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-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 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-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 APP 1176/4885ATM 3653/4885HCAR2 47/4885

“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.