SCHEMBL6488593

SCHEMBL6488593

CCCc1cccc(CCC)c1C1C(=O)N2CCOCCN2C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 1/20 0.35
CYP2A13 Q16696 3/20 0.35
USP2 O75604 1/20 0.34
DAO P14920 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32

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
Pinoxaden Dione SCHEMBL64757 0.77 TSHR (0.39) ALDH1A1GAAKDM4EHPGDLMNA
SCHEMBL6488155 0.72 KMT2A (0.34) GAACYP1A2HPGDCYP2C19PKM
SCHEMBL8280540 0.70 CYP3A4 (0.41) ALDH1A1GAAKDM4ECYP2D6CYP2C19
SCHEMBL6810634 0.68 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL22661242 0.67 CNR2 (0.32) KDM4EMAPT
SCHEMBL10244134 0.66 PKM (0.49) ALDH1A1PKMCYP2A13LMNASMN1; SMN2
SCHEMBL4106074 0.66 CYP2A13 (0.65) ALDH1A1GAAKDM4ECYP1A2GLA
SCHEMBL16592315 0.65 GAA (0.32) GAAKDM4ESMN1; SMN2HTTTSHR
SCHEMBL16592340 0.62 TSHR (0.34) SMN1; SMN2HTTTSHR
SCHEMBL2003788 0.62 ACHE (0.45)

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-20050090399-A1 Phenyl substituted heterocyclic compounds useful as herbicides FRIEDMANN ADRIAN A (GB) 2005-04-28 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-20050090399-A1 Phenyl substituted heterocyclic compounds useful as herbicides DDT, PAH, CYP1A1 ALDH1A1 35/4885GAA 434/4885KDM4E 1349/4885

“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.