SCHEMBL16459100

SCHEMBL16459100

C1=CC2C(C=C1)C(C(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CHRM2 P08172 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
KCNH2 Q12809 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
SCHEMBL12814842 0.84 KEAP1 (0.32) KEAP1NFE2L2CHRM2CYP2D6CHRM1
SCHEMBL12815272 0.82 NPC1 (0.35)
SCHEMBL12814771 0.81 KEAP1 (0.30) KEAP1NFE2L2CHRM2CYP2D6CHRM1
Hydrochloric Acid SCHEMBL16457937 0.78
SCHEMBL16459345 0.76 CHRM2 (0.34) CHRM2CYP2D6CHRM1KCNH2
SCHEMBL12815044 0.67 MEN1 (0.30) CYP2D6
SCHEMBL12815692 0.67 GAA (0.38) CHRM2CHRM1
SCHEMBL12815062 0.67
SCHEMBL10319313 0.67
Phenol SCHEMBL5273286 0.66 CA12 (0.35)

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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 KEAP1 1392/4885NFE2L2 257/4885CHRM2 1936/4885

“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.