SCHEMBL6076335

SCHEMBL6076335

N#CC1(c2cccc3c2OCO3)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.38
GSK3B P49841 1/20 0.36
HTR2A P28223 1/20 0.33
TSHR P16473 5/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 4/20 0.32
MAPK1 P28482 4/20 0.32
HSD17B10 Q99714 4/20 0.32
GAA P10253 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALOX15 P16050 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
EED O75530 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MGAM O43451 1/20 0.31
AMY1A P0DUB6 1/20 0.31

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
SCHEMBL6078245 0.94 ABCG2 (0.35) ABCG2GSK3BHTR2ATSHRALDH1A1
SCHEMBL10526403 0.71 OPRM1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL6076962 0.70 GSK3B (0.42) ABCG2GSK3BTSHRALDH1A1HPGD
SCHEMBL17069064 0.69 ABCG2 (0.44) ABCG2GSK3BHTR2ATSHRALDH1A1
SCHEMBL6077938 0.68 GSK3B (0.40) ABCG2GSK3BHTR2ATSHRALDH1A1
SCHEMBL9231118 0.67 TSHR (0.43) ABCG2GSK3BHTR2ATSHRALDH1A1
SCHEMBL17878205 0.67 KMT2A (0.43) TSHRALDH1A1HPGDGAAMEN1
SCHEMBL16112745 0.67 PARP1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL13330444 0.67 ABCG2 (0.38) ABCG2GSK3BTSHRALDH1A1HPGD
SCHEMBL9711300 0.66 ABCG2 (0.40) ABCG2GSK3BHTR2ATSHRALDH1A1

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 ABCG2 2419/4885GSK3B 3756/4885HTR2A 1669/4885

“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.