SCHEMBL19981020

SCHEMBL19981020

CC1(I)C=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL29387054 0.76 KDM4E (0.39) OXTRKDM4EPKMGAAMAPT
SCHEMBL251287 0.76 KDM4E (0.39) OXTRKDM4EPKMGAAMAPT
SCHEMBL18573347 0.76 GAA (0.33) OXTRKDM4EPKMGAAMAPT
Ammonia Solution, Strong SCHEMBL7086115 0.74 KDM4E (0.38) OXTRKDM4EPKMGAAMAPT
SCHEMBL19326887 0.73 GAA (0.35) GAAMAPT
SCHEMBL5574452 0.73 KDM4E (0.37) OXTRKDM4EPKM
SCHEMBL18243668 0.73 OXTR (0.33) OXTRKDM4EPKMGAAMAPT
SCHEMBL8861340 0.73 OXTR (0.33) OXTRKDM4EPKMGAAMAPT
Fluoride SCHEMBL1130944 0.73 OXTR (0.33) OXTRKDM4EPKMGAAMAPT
SCHEMBL5090884 0.73 OXTR (0.33) OXTRKDM4EPKMGAAMAPT

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-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME LG CHEM, LTD. (KR) 2018-03-22 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-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME PCBP1, SOD1, PCLAF OXTR 4407/4885KDM4E 2644/4885PKM 2242/4885

“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.