SCHEMBL2235097

SCHEMBL2235097

COc1ccc(-c2c(C)ccc3c2C=C(Br)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BACE1 P56817 2/20 0.37
NR1H4 Q96RI1 1/20 0.36
SYK P43405 1/20 0.35
MAOB P27338 2/20 0.35
PTGS2 P35354 3/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL2236190 0.87 CYP1A1 (0.34) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2235659 0.81 AKT2 (0.31) MAPTKDM4EMAPK1KMT2ATDP1
SCHEMBL2237566 0.77 IKBKB (0.40) MAPTKDM4EMEN1PKMKMT2A
SCHEMBL2235465 0.75
SCHEMBL2234348 0.73 SYK (0.36) MAPK1TDP1SYKMAOBPTGS2
SCHEMBL1179742 0.66 CYP11B2 (0.49) MAOB
SCHEMBL12843389 0.66 SYK (0.53) MAPK1TDP1SYKPTGS2NPC1
SCHEMBL2235892 0.66 DHFR (0.40) KDM4ESMN1; SMN2NPSR1
SCHEMBL2235082 0.66 NPC1 (0.30) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL13319552 0.64 CA12 (0.48) MAPTKDM4EMEN1PKMMAPK1

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 MAPT 2838/4885KDM4E 3839/4885MEN1 1018/4885

“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.