SCHEMBL17816554

SCHEMBL17816554

C=CCC1CCCC/C1=N/CCCCC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.36
NOS2 P35228 4/20 0.36
NOS3 P29474 2/20 0.33
SIGMAR1 Q99720 2/20 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
SCHEMBL6922736 0.73 NOS1 (0.42) NOS1NOS2NOS3
SCHEMBL8958622 0.73 NOS1 (0.42) NOS1NOS2NOS3
SCHEMBL16620204 0.70 SIGMAR1 (0.36) NOS1NOS2SIGMAR1
SCHEMBL16620206 0.70 SIGMAR1 (0.36) NOS1NOS2SIGMAR1
SCHEMBL16620796 0.69 SIGMAR1 (0.38) SIGMAR1
SCHEMBL16620795 0.69 SIGMAR1 (0.38) SIGMAR1
SCHEMBL18395863 0.68 CNR1 (0.33) NOS1NOS2SIGMAR1
SCHEMBL18395865 0.68 CNR1 (0.33) NOS1NOS2SIGMAR1
SCHEMBL18395787 0.67 CNR1 (0.34) NOS1NOS2SIGMAR1
SCHEMBL18395788 0.67 CNR1 (0.34) NOS1NOS2SIGMAR1

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-20160159934-A1 USES OF CERTAIN PLATINOID ACCUMULATING PLANTS FOR USE IN ORGANIC CHEMICAL REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2016-06-09 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-20160159934-A1 USES OF CERTAIN PLATINOID ACCUMULATING PLANTS FOR USE IN ORGANIC CHEMICAL REACTIONS OAT, PPA1, ITPA NOS1 3338/4885NOS2 2673/4885NOS3 2744/4885

“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.