SCHEMBL2236464

SCHEMBL2236464

Cc1ccc2c(c1-c1ccc(-c3ccccc3)cc1)C=C(Br)C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TAAR1 Q96RJ0 2/20 0.32
HSD17B3 P37058 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
AKT3 Q9Y243 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
SCHEMBL2235659 0.97 AKT2 (0.31) MAPK1TDP1AKT1AKT2AKT3
SCHEMBL2234205 0.85 ALDH1A1 (0.34) ALDH1A1MAPK1HSD17B10
SCHEMBL2237566 0.82 IKBKB (0.40) ALDH1A1GRIA1CACNG8CYP3A4HSD17B10
SCHEMBL2235097 0.82 MAPT (0.37) MAPK1TDP1
SCHEMBL2234405 0.82 TSHR (0.32)
SCHEMBL6908173 0.82 AKT2 (0.33) AKT1AKT2AKT3
SCHEMBL4626589 0.82 AKT2 (0.33) AKT1AKT2AKT3
SCHEMBL2234463 0.81 KIF11 (0.35)
SCHEMBL2235551 0.79 NPC1 (0.33) ALDH1A1GRIA1CACNG8HSD17B10
SCHEMBL2234221 0.79 MEN1 (0.31) ALDH1A1

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 5 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
CN-102245620-A Metallocene complex and method for polymerizing olefin JAPAN POLYPROPYLENE CORP 2011-11-16 CN 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 ALDH1A1 477/4885MAPK1 2535/4885TAAR1 888/4885

“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.