SCHEMBL2235611

SCHEMBL2235611

Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccccc3C)C2)o1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.31
CASP3 P42574 2/20 0.31
RAB9A P51151 2/20 0.31
SENP8 Q96LD8 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
SENP6 Q9GZR1 2/20 0.31
SLC9A1 P19634 1/20 0.31
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
OPRK1 P41145 1/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL2234122 0.87 DHFR (0.35) SMN1; SMN2KDM4EALDH1A1
SCHEMBL2234932 0.86 ALDH1A1 (0.35) SMN1; SMN2KDM4EALDH1A1CASP3RAB9A
SCHEMBL2239872 0.85 PTGS1 (0.42) SMN1; SMN2KDM4EALDH1A1MEN1PKM
SCHEMBL2236714 0.83 PTGS1 (0.40) SMN1; SMN2KDM4EALDH1A1MEN1PKM
SCHEMBL2234742 0.79 IKBKB (0.34) SMN1; SMN2KDM4EALDH1A1MEN1PKM
SCHEMBL2236059 0.79 SLC9A1 (0.32) KDM4EALDH1A1SLC9A1MEN1PKM
SCHEMBL15827724 0.76 PTGS1 (0.37) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL2235210 0.75 MAPT (0.38) SMN1; SMN2KDM4EALDH1A1NPC1CASP3
SCHEMBL2236712 0.75
SCHEMBL2234250 0.75 ADORA2A (0.30)

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 SMN1; SMN2 2008/4885KDM4E 3839/4885ALDH1A1 477/4885

“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.