SCHEMBL6236243

SCHEMBL6236243

O=c1oc(=O)n(CCCc2ccccc2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
IDO1 P14902 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SIGMAR1 Q99720 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MIF P14174 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
P2RX4 Q99571 1/20 0.44

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
SCHEMBL6236721 0.92 ALDH1A1 (0.67) ALDH1A1TSHRLMNAMAPK1IDO1
SCHEMBL1061987 0.82 PGR (0.60) ALDH1A1LMNANPSR1
SCHEMBL17208786 0.82 ALDH1A1 (0.51) ALDH1A1TSHRLMNAMAPK1NPSR1
SCHEMBL11688278 0.82 ALDH1A1 (0.51) ALDH1A1TSHRLMNAMAPK1NPSR1
SCHEMBL11389425 0.82 ALDH1A1 (0.51) ALDH1A1TSHRNPSR1RAB9ASMN1; SMN2
SCHEMBL1522607 0.81 MIF (0.66) ALDH1A1MAPK1IDO1NPSR1SMN1; SMN2
SCHEMBL2453991 0.81 PGR (0.55) ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL20968383 0.81 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1RAB9ASMN1; SMN2
SCHEMBL18469658 0.80 ALDH1A1 (0.43) ALDH1A1TSHRLMNAMAPK1NPSR1
SCHEMBL17278442 0.79 SIGMAR1 (0.62) SIGMAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 ALDH1A1 1494/4885TSHR 4433/4885LMNA 4806/4885

“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.