SCHEMBL6370490

SCHEMBL6370490

PCC(c1ccccn1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.44
KCNE1 P15382 1/20 0.44
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL8004235 0.84 KCNA5 (0.44) KCNA5KCNE1KDM4ETSHRALDH1A1
SCHEMBL22961730 0.84 KCNA5 (0.44) KCNA5KCNE1KDM4ETSHRALDH1A1
SCHEMBL8599511 0.84 KCNA5 (0.44) KCNA5KCNE1KDM4ETSHRALDH1A1
SCHEMBL8598551 0.84 KCNA5 (0.44) KCNA5KCNE1KDM4ETSHRALDH1A1
SCHEMBL9843699 0.83 KCNA5 (0.46) KCNA5KCNE1KDM4ETSHRALDH1A1
SCHEMBL21742302 0.76 KCNA5 (0.49) KCNA5KCNE1KDM4ETSHRALDH1A1
SCHEMBL6989805 0.76 KMT2A (0.44) KCNA5KCNE1KDM4EALDH1A1MEN1
SCHEMBL11031910 0.75 CYP2C19 (0.41) KCNA5KDM4EALDH1A1CYP1A2MEN1
SCHEMBL23109247 0.75 KCNA5 (0.47) KCNA5KCNE1KDM4ETSHRALDH1A1
SCHEMBL14835673 0.75 SLC6A2 (0.40) KCNA5KCNE1KDM4ETSHRALDH1A1

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-20050107608-A1 Ligands for use in catalytic processes EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH ETHZ (CH) 2005-05-19 US disclosed
EP-1448575-A1 LIGANDS FOR USE IN CATALYTIC PROCESSES Eidgenössische Technische Hochschule (ETH) Zürich (CH) 2004-08-25 EP disclosed
WO-2003048175-A1 LIGANDS FOR USE IN CATALYTIC PROCESSES EIDGENÖSSISCHE TECHNISCHE HOCHSCHULE ZÜRICH ETHZ (CH) 2003-06-12 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-20050107608-A1 Ligands for use in catalytic processes PNKP, ITPA, PLCG2 KCNA5 2706/4885KCNE1 3167/4885KDM4E 3430/4885

“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.