SCHEMBL6063539

SCHEMBL6063539

OC1(c2ccccc2)COc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OXTR P30559 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
OPRD1 P41143 1/20 0.33
LTA4H P09960 1/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAP3K14 Q99558 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
SCHEMBL9033971 0.78 OXTR (0.37) OPRM1OXTRHDAC9MAOAMAOB
SCHEMBL8080060 0.76 HDAC9 (0.47) OPRL1OPRM1OPRK1HDAC1HDAC2
SCHEMBL14182625 0.75 OXTR (0.39) OXTRMAOAMAOB
SCHEMBL236649 0.72 OXTR (0.42) OXTRMAOAMAOB
SCHEMBL2977414 0.71 OPRM1 (0.38) OPRL1OPRM1OPRK1OXTROPRD1
SCHEMBL31069767 0.70 CYP1A2 (0.38) OPRL1OPRM1OPRK1HDAC9ALOX15
SCHEMBL28644317 0.69 OXTR (0.39) OXTRMAOAMAOB
SCHEMBL7971051 0.69 OXTR (0.39) OXTRMAOAMAOB
SCHEMBL27514284 0.68 OXTR (0.30) OXTR
SCHEMBL10536039 0.68 OPRL1 (0.43) OPRL1OPRM1OPRK1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252707-A1 Pharmaceutical composition for the treatment and/or the prevention of atherosclerosis from infectious origin UNIVERSITE DE LIEGE (BE) 2006-11-09 US disclosed
EP-1644006-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND/OR THE PREVENTION OF ATHEROSCLEROSIS FROM INFECTIOUS ORIGIN Université de Liège (BE) 2006-04-12 EP disclosed
WO-2004105769-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND/OR THE PREVENTION OF ATHEROSCLEROSIS FROM INFECTIOUS ORIGIN UNIVERSITE DE LIEGE (BE) 2004-12-09 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-20060252707-A1 Pharmaceutical composition for the treatment and/or the prevention of atherosclerosis from infectious origin APOB, SCARB1, TLR1 OPRL1 4483/4885OPRM1 4857/4885OPRK1 4814/4885

“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.