SCHEMBL2234463

SCHEMBL2234463

Cc1ccc2c(c1-c1ccc(C(F)(F)F)cc1)C=C(Br)C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.35
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
TDP2 O95551 1/20 0.33
MAOB P27338 1/20 0.33
BACE1 P56817 1/20 0.33
SMO Q99835 4/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
APOB P04114 4/20 0.32
MTTP P55157 4/20 0.32

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
SCHEMBL2234405 0.87 TSHR (0.32) KIF11LMNA
SCHEMBL2236464 0.81 ALDH1A1 (0.34)
SCHEMBL2235659 0.80 AKT2 (0.31)
SCHEMBL2236889 0.77 RXRB (0.33)
SCHEMBL2238980 0.74 HEXA (0.38) KIF11HEXAHEXBMAOBSMO
SCHEMBL2235465 0.74
SCHEMBL2235082 0.73 NPC1 (0.30)
SCHEMBL2237566 0.73 IKBKB (0.40) LMNABACE1ESR1ESR2
SCHEMBL2236190 0.71 CYP1A1 (0.34)
SCHEMBL17060037 0.70 KDM4E (0.31) KIF11

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 KIF11 2640/4885LMNA 3617/4885THRB 3019/4885

“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.