SCHEMBL12815643

SCHEMBL12815643

CCCCC1=CCC(C(c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)=C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
KIF11 P52732 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM3 P20309 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
SCHEMBL16458981 0.92 LMNA (0.36) KCNH2KIF11CYP3A4CYP2D6CYP2C9
SCHEMBL16458724 0.86 NOS2 (0.31)
SCHEMBL12814780 0.86 LMNA (0.35) KCNH2KIF11CYP3A4CYP2D6CYP2C9
SCHEMBL12815236 0.84 APOBEC3A (0.35) KCNH2KIF11HRH3CHRM2CHRM3
SCHEMBL12814840 0.80 KIF11 (0.38) KCNH2KIF11CYP3A4CYP2D6CYP2C9
SCHEMBL12815144 0.77
SCHEMBL12814424 0.76 ACHE (0.37) KCNH2KIF11CYP3A4CYP2D6CYP2C9
SCHEMBL12814572 0.76 ACHE (0.33) KCNH2KIF11CYP3A4CYP2D6CYP2C9
SCHEMBL12814464 0.75 KCNN4 (0.35) KIF11CYP3A4CYP2C9
SCHEMBL16457673 0.74 CYP2B6 (0.33) KIF11TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO 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 KCNH2 4150/4885KIF11 4803/4885CYP3A4 363/4885

“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.