SCHEMBL2237161

SCHEMBL2237161

Cc1ccc(C2=Cc3c(ccc(C)c3-c3cccc4ccccc34)C2[Si](C)(C)C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2cccc3ccccc23)o1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
ALOX15 P16050 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL2234380 0.89 SMN1; SMN2 (0.32) KDM4EALDH1A1
SCHEMBL28659972 0.85 DHFR (0.34) DHFRTDP1
SCHEMBL6056238 0.83 MAOA (0.31) ALOX15TDP1ENPP3ENPP1
SCHEMBL2235899 0.82 PTGS1 (0.42) ALOX15KDM4EALDH1A1ADORA2AADORA1
SCHEMBL2233701 0.81 IKBKB (0.35) ALOX15KDM4EALDH1A1ADORA2AADORA1
SCHEMBL2236152 0.81 SLC9A1 (0.34) TDP1KDM4EALDH1A1
SCHEMBL2234262 0.81 PTGS1 (0.40) ALOX15KDM4EALDH1A1ADORA2AADORA1
SCHEMBL2233784 0.79 DHFR (0.31) DHFR
SCHEMBL28884670 0.79 DHFR (0.30) DHFR
Hydrochloric Acid SCHEMBL30312761 0.78 BRD4 (0.32) KDM4E

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 DHFR 993/4885ALOX15 2/4885TDP1 3705/4885

“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.