SCHEMBL2385285

SCHEMBL2385285

COc1ccc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
MAPT P10636 4/20 0.35
ATM Q13315 1/20 0.35
NQO2 P16083 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HPGD P15428 2/20 0.33
MAOB P27338 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 1/20 0.33
EGFR P00533 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL2235210 0.89 MAPT (0.38) GSK3BMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL2236714 0.85 PTGS1 (0.40) MAPTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL2239872 0.85 PTGS1 (0.42) MAPTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL2233439 0.84 MEN1 (0.30) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2238185 0.83 NQO2 (0.31) NQO2NPC1RAB9AKDM4E
SCHEMBL2236059 0.81 SLC9A1 (0.32) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL2234742 0.81 IKBKB (0.34) MAPTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL2241640 0.79
SCHEMBL2236712 0.77
SCHEMBL2234250 0.77 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GSK3B 4665/4885MAPT 2838/4885ATM 2935/4885

“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.