SCHEMBL6081323

SCHEMBL6081323

C/C(=C\COC(=O)C=[N+]=[N-])c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.37
HIF1A Q16665 2/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6081328 1.00 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19NPSR1HIF1A
SCHEMBL6081322 1.00 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19NPSR1HIF1A
SCHEMBL29827845 0.79 ALDH1A1 (0.48) CYP1A2AKT1MTNR1AMTNR1BPPARG
SCHEMBL20557152 0.79 MTNR1A (0.46) CYP1A2HIF1AMAPK1AKT1MTNR1A
SCHEMBL20557151 0.79 MTNR1A (0.46) CYP1A2HIF1AMAPK1AKT1MTNR1A
SCHEMBL20557153 0.79 AKT1 (0.42) CYP1A2HIF1AMAPK1AKT1MTNR1A
SCHEMBL5836235 0.76 TTR (0.40) CYP1A2CYP2C9CYP2C19TRPV1ALDH1A1
SCHEMBL21119244 0.75 MTNR1A (0.46) AKT1MTNR1AMTNR1BPPARGPPARD
SCHEMBL21119365 0.75 MTNR1A (0.46) AKT1MTNR1AMTNR1BPPARGPPARD
SCHEMBL5049269 0.74 ELANE (0.46) CYP1A2AKT1MTNR1AMTNR1BPPARG

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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 US claimed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG CYP1A2 724/4885CYP2C9 518/4885CYP2C19 616/4885

“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.