SCHEMBL2239872

SCHEMBL2239872

Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccccc3)C2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX12 P18054 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
SCHEMBL2236714 0.97 PTGS1 (0.40) PTGS1PTGS2ADORA2AADORA1MEN1
SCHEMBL2236059 0.85 SLC9A1 (0.32) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2235611 0.85 SMN1; SMN2 (0.33) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL2234742 0.85 IKBKB (0.34) PTGS2ADORA2AADORA1MEN1KMT2A
SCHEMBL2385285 0.85 GSK3B (0.39) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2238185 0.85 NQO2 (0.31) KDM4E
SCHEMBL15712971 0.84 PTGS1 (0.40) PTGS1PTGS2ADORA2AADORA1MEN1
SCHEMBL2384956 0.83 KIF11 (0.32) ADORA2AADORA1
SCHEMBL2241640 0.83
SCHEMBL2236712 0.81

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 8 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-8461365-B2 Metallocene complex and polymerization method of olefin JAPAN POLYPROPYLENE CORPORATION (JP) 2013-06-11 US 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
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
WO-2010071099-A1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN 日本ポリプロ株式会社 (JP) 2010-06-24 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-20110230622-A1 METALLOCENE COMPLEX AND POLYMERIZATION METHOD OF OLEFIN ALOX12, ALOX15, ALOX15B PTGS1 199/4885PTGS2 198/4885ADORA2A 4706/4885

“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.