SCHEMBL6076962

SCHEMBL6076962

O=CC1(c2cccc3c2OCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOB P27338 4/20 0.35
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
FAAH O00519 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
EED O75530 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
SCHEMBL6077938 0.94 GSK3B (0.40) GSK3BABCG2ALDH1A1HSD17B10TDP1
SCHEMBL29706697 0.72 GSK3B (0.54) GSK3BABCG2ALDH1A1HSD17B10TDP1
SCHEMBL161792 0.72 GSK3B (0.54) GSK3BABCG2ALDH1A1HSD17B10TDP1
SCHEMBL19063461 0.72 SLC9A1 (0.35)
SCHEMBL6076335 0.70 ABCG2 (0.38) GSK3BABCG2ALDH1A1HSD17B10PKM
SCHEMBL6078245 0.68 ABCG2 (0.35) GSK3BABCG2ALDH1A1HSD17B10TSHR
SCHEMBL6076099 0.67 ALDH1A1 (0.38) GSK3BALDH1A1MAOBPKMMGAM
SCHEMBL3098484 0.67 EED (0.43) GSK3BABCG2ALDH1A1HSD17B10TDP1
SCHEMBL13330444 0.67 ABCG2 (0.38) GSK3BABCG2ALDH1A1TSHRMGAM
SCHEMBL1403602 0.66 MAOB (0.48) GSK3BABCG2ALDH1A1HSD17B10TDP1

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
US-7112584-B2 Nonsteroidal antiinflammatory agents SCHERING AG (DE) 2006-09-26 US disclosed
EP-1572671-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2005-09-14 EP disclosed
US-20040209875-A1 Nonsteroidal antiinflammatory agents SCHERIN AKTIENGESELLSCHAFT (DE) 2004-10-21 US disclosed
WO-2004058733-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 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-20040209875-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES GSK3B 3756/4885ABCG2 2419/4885ALDH1A1 96/4885

“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.