SCHEMBL647834

SCHEMBL647834

C=CCc1cccc([O])n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
DCTPP1 Q9H773 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL249852 0.84 GABRA1 (0.40) GABRA1GABRB2PDE4APDE4CPDE4D
SCHEMBL14124548 0.75 KDM1A (0.37) GABRA1GABRB2PDE4APDE4CPDE4D
SCHEMBL17429701 0.75 CCR1 (0.43) GABRA1GABRB2ALDH1A1KDM4EHPGD
SCHEMBL5824067 0.75 BACE1 (0.42) GABRA1GABRB2
SCHEMBL8522029 0.75 GABRA1 (0.34) GABRA1GABRB2PDE4APDE4CPDE4D
SCHEMBL10818509 0.75 GABRA1 (0.42) GABRA1GABRB2PGK1PGK2ALDH1A1
SCHEMBL8515582 0.73 CYP4F2 (0.38) GABRB2PDE4DPGK1PGK2KDM4E
Ammonia Solution, Strong SCHEMBL4888956 0.72 KDM4E (0.53) KDM4E
SCHEMBL7697012 0.72 PDE4A (0.42) PDE4APDE4CPDE4DALDH1A1KDM4E
Formic Acid SCHEMBL28289297 0.72 CYP3A4 (0.36) GABRA1GABRB2PGK1PGK2ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US claimed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US claimed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP claimed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP claimed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 WO claimed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 GABRA1 2491/4885GABRB2 2426/4885PDE4A 313/4885

“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.