SCHEMBL6077938

SCHEMBL6077938

O=CC1(c2cccc3c2OCO3)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.35
MAOB P27338 4/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
EED O75530 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MGAM O43451 1/20 0.32
AMY1A P0DUB6 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
FAAH O00519 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
SCHEMBL6076962 0.94 GSK3B (0.42) GSK3BALDH1A1HSD17B10TDP1ABCG2
SCHEMBL6078245 0.72 ABCG2 (0.35) GSK3BALDH1A1HSD17B10ABCG2POLB
SCHEMBL29706697 0.70 GSK3B (0.54) GSK3BALDH1A1HSD17B10TDP1ABCG2
SCHEMBL161792 0.70 GSK3B (0.54) GSK3BALDH1A1HSD17B10TDP1ABCG2
SCHEMBL6076287 0.69 ALDH1A1 (0.37) GSK3BALDH1A1MAOBPOLBMAPK1
SCHEMBL6076335 0.68 ABCG2 (0.38) GSK3BALDH1A1HSD17B10ABCG2MAPK1
SCHEMBL5637544 0.67 HDAC4 (0.47) HPGD
SCHEMBL19063461 0.67 SLC9A1 (0.35) DRD2HTR2ADRD3
SCHEMBL27907595 0.66 HDAC4 (0.45) ALDH1A1TDP1TSHROPRM1OPRL1
SCHEMBL29913527 0.66 HDAC4 (0.45) OPRM1OPRL1

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 3756/4885ALDH1A1 96/4885HSD17B10 868/4885

“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.