SCHEMBL12814751

SCHEMBL12814751

Cc1cccc(C(C2=C(C(C)C)C=CC2)(c2cccc(C)c2)c2cccc(C)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
KIF11 P52732 5/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 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
SCHEMBL12821898 0.86 LMNA (0.32) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12815372 0.81 ACHE (0.37) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL12816137 0.77 ACHE (0.33) ACHEKIF11CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL16458050 0.77 ACHE (0.33) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL12814422 0.76 LMNA (0.35) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL12814822 0.75 CNR1 (0.38) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL12814667 0.74 LMNA (0.36) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL12815231 0.72 KIF11 (0.38) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12814513 0.71 KIF11 (0.34) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12815471 0.71 ESR1 (0.36) CYP3A4CYP2D6CYP2C19

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 ACHE 446/4885KIF11 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.