SCHEMBL2238980

SCHEMBL2238980

Cc1ccc2c(c1-c1ccc(C(F)(F)F)cc1)C=CC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
KIF11 P52732 10/20 0.37
SMO Q99835 4/20 0.33
APOB P04114 4/20 0.33
MTTP P55157 4/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SLC11A2 P49281 1/20 0.33

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
SCHEMBL2237125 0.86 TSHR (0.34) KIF11
SCHEMBL2234231 0.80 CYP1A1 (0.34) MAOB
SCHEMBL2234188 0.79 CYP1A1 (0.35) HEXAHEXB
SCHEMBL2234348 0.77 SYK (0.36) HEXAHEXBMAOB
SCHEMBL2233347 0.76 POLB (0.34)
SCHEMBL2236616 0.74 MEN1 (0.33) HEXAHEXB
SCHEMBL2234463 0.74 KIF11 (0.35) HEXAHEXBKIF11SMOAPOB
SCHEMBL2236454 0.72 KIF11 (0.39) KIF11
SCHEMBL2237798 0.72 CYP3A4 (0.31) MAOA
SCHEMBL2236088 0.72 IKBKB (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360163-B1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN JAPAN POLYPROPYLENE CORP (JP) 2014-06-25 EP disclosed
US-8461365-B2 Metallocene complex and polymerization method of olefin JAPAN POLYPROPYLENE CORPORATION (JP) 2013-06-11 US disclosed
US-20110230622-A1 METALLOCENE COMPLEX AND POLYMERIZATION METHOD OF OLEFIN JAPAN POLYPROPYLENE CORPORATION (JP) 2011-09-22 US disclosed
EP-2360163-A1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN Japan Polypropylene Corporation (JP) 2011-08-24 EP 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-20110230622-A1 METALLOCENE COMPLEX AND POLYMERIZATION METHOD OF OLEFIN ALOX12, ALOX15, ALOX15B HEXA 3858/4885HEXB 4240/4885KIF11 2640/4885

“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.