SCHEMBL6566420

SCHEMBL6566420

O=CNCc1cc[c]cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.61
ADH1C P00326 1/20 0.61
ADH1A P07327 1/20 0.61
ADH7 P40394 1/20 0.61
ALOX5 P09917 1/20 0.32
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8763196 0.83 ADH1B (0.76) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL4473619 0.78 LMNA (0.40) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL28421794 0.78 ADH1B (0.38) ADH1BADH1CADH1AADH7
SCHEMBL8763263 0.76 ADH1B (0.67) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL27354 0.76 ADH1B (1.00) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL3112488 0.75 TPSAB1 (0.44) KMT2AMEN1
SCHEMBL8129476 0.75 SIGMAR1 (0.41) ADH1BADH1CADH1AADH7KMT2A
Hydrochloric Acid SCHEMBL3741186 0.74 ADH1B (0.95) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL4633427 0.74 ADH1B (0.52) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL4633463 0.73 ADH1B (0.61) ADH1BADH1CADH1AADH7KMT2A

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
US-20040220411-A1 Oxalic acid derivatives MERCK PATENT GMBH (DE) 2004-11-04 US disclosed
EP-1377543-A1 OXALIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-01-07 EP disclosed
WO-2002083630-A1 OXALIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-24 WO disclosed
CN-1050376-A Acyl-CoA: cholesterol acyltransferase inhibitor WARBER LAMBERT CO (US) 1991-04-03 CN disclosed
US-4837305-A Derivatives of β-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1989-06-06 US disclosed
EP-0117089-B1 BETA-ADRENERGIC ANTAGONIST COMPOUNDS AND DERIVATIVES OF BETA-ADRENERGIC ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-12-14 EP disclosed
US-4687873-A Derivatives of β-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1987-08-18 US disclosed
EP-0117089-A1 Beta-adrenergic antagonist compounds and derivatives of beta-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1984-08-29 EP 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-20040220411-A1 Oxalic acid derivatives F11, F2, F12 ADH1B 977/4885ADH1C 673/4885ADH1A 459/4885

“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.