SCHEMBL2234742

SCHEMBL2234742

Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccc4ccccc4c3)C2)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ABCB1 P08183 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL2236714 0.85 PTGS1 (0.40) PTGS2ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2239872 0.85 PTGS1 (0.42) PTGS2ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2236059 0.82 SLC9A1 (0.32) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL2385285 0.81 GSK3B (0.39) PTGS2ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2235210 0.80 MAPT (0.38) ALDH1A1HPGDSMN1; SMN2HSD17B10TSHR
SCHEMBL2234250 0.80 ADORA2A (0.30) ADORA2A
SCHEMBL2241640 0.80
SCHEMBL2384956 0.80 KIF11 (0.32) ADORA2AADORA1
SCHEMBL2235611 0.79 SMN1; SMN2 (0.33) PTGS2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2234122 0.79 DHFR (0.35) ALDH1A1CYP1A2SMN1; SMN2CYP2C9ADORA2A

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 IKBKB 3916/4885PTGS2 198/4885ALDH1A1 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.