SCHEMBL6076342

SCHEMBL6076342

N#CC1(C2=COC(Cc3ccccc3)O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CTSC P53634 2/20 0.33
KDM1A O60341 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6078250 0.94 OPRM1 (0.36) OPRM1MEN1KMT2ACTSCKDM1A
SCHEMBL1014603 0.74 LTB4R (0.37) DDB1CRBNALDH1A1HPGDHSD17B10
SCHEMBL6076968 0.74 DDB1 (0.33) DDB1CRBN
SCHEMBL201288 0.73 HTT (0.39) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL6077944 0.72 F2 (0.33) DDB1CRBNHTT
SCHEMBL1684322 0.70 ALDH1A1 (0.33) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2396894 0.70
SCHEMBL5416780 0.69 LTB4R (0.36) DDB1CRBNALDH1A1HPGDHTT
SCHEMBL1465576 0.68 EEF2K (0.33) KDM1AALDH1A1TP53
SCHEMBL7956678 0.67 SLC6A2 (0.38)

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 OPRM1 612/4885MEN1 1721/4885KMT2A 4244/4885

“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.