SCHEMBL20758296

SCHEMBL20758296

CC(C)CCC(C#N)CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 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
SCHEMBL19175930 0.89 TSHR (0.32) TSHRCYP1A2MAPK1
SCHEMBL20756264 0.87 TSHR (0.40) TSHRCYP1A2MAPK1
SCHEMBL14621520 0.86 TSHR (0.40) TSHRCYP1A2MAPK1
SCHEMBL23252530 0.85 OPRM1 (0.41) TSHRLMNA
SCHEMBL21344517 0.82 KDM4E (0.32)
SCHEMBL15211775 0.80 LMNA (0.56) TSHRLMNA
SCHEMBL13067946 0.76 TSHR (0.40) TSHRLMNA
Water SCHEMBL9684502 0.75 LMNA (0.44) TSHRCYP1A2MAPK1LMNA
SCHEMBL26318533 0.75 TSHR (0.39) TSHRCYP1A2MAPK1LMNA
SCHEMBL26317082 0.75

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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE TSHR 1420/4885CYP1A2 47/4885MAPK1 1178/4885

“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.