SCHEMBL6429233

SCHEMBL6429233

C=CCC1CNCC(CC=C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
FAAH O00519 1/20 0.37
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
PRSS1 P07477 2/20 0.31
CTRC Q99895 2/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL24215052 0.78
SCHEMBL24215054 0.78
SCHEMBL6402909 0.78 FAAH (0.40) ALDH1A1FAAHNOS1NOS2GAA
SCHEMBL3623641 0.75 ALDH1A1 (0.33) ALDH1A1FAAH
SCHEMBL3637263 0.74 NOS1 (0.46) ALDH1A1FAAHNOS1NOS2GAA
SCHEMBL28353879 0.72 FAAH (0.32) ALDH1A1FAAHNOS1NOS2
SCHEMBL4560047 0.70 ALDH1A1 (0.33) ALDH1A1FAAH
SCHEMBL1500725 0.67
SCHEMBL16767180 0.67 GBA1 (0.32) ALDH1A1GAA
SCHEMBL15561498 0.67 FAAH (0.37) ALDH1A1FAAH

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-6964966-B2 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED (IN) 2005-11-15 US disclosed
US-20030096812-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2003-05-22 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-20030096812-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 ALDH1A1 1962/4885FAAH 3293/4885NOS1 3199/4885

“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.