SCHEMBL2991344

SCHEMBL2991344

COc1cc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(O)c(O)c4)cc3)cc2)cc(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ XDH P47989 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ NSD2 O96028 1/20 0.50
▸ PTGS2 P35354 1/20 0.49
▸ ABCC1 P33527 2/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B2 P37059 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ SLC22A6 Q4U2R8 1/20 0.45
▸ SLC22A8 Q8TCC7 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SYNJ2 O15056 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 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
SCHEMBL18121547 0.90 KMT2A (0.57) CA12CA1CA2CA7XDH
SCHEMBL3005074 0.85 CA12 (0.56) CA12CA1CA2CA7XDH
SCHEMBL18329185 0.82 CA1 (0.62) CA12CA1CA2CA7XDH
SCHEMBL13851150 0.81 NSD2 (0.76) CA12CA1CA2CA7XDH
SCHEMBL18121555 0.81 CA1 (0.61) CA12CA1CA2CA7XDH
SCHEMBL15948378 0.81 CA1 (0.61) CA12CA1CA2CA7XDH
SCHEMBL3006067 0.81 NSD2 (0.73) CA12CA1CA2CA7XDH
SCHEMBL13286874 0.81 CA12 (0.62) CA12CA1CA2CA7XDH
SCHEMBL18121548 0.80 LMNA (0.54) CA12CA1CA2CA7XDH
SCHEMBL2994752 0.80 NSD2 (0.47) CA12CA1CA2CA7XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2010-07-29 — — US claimed
EP-2170802-A1 NOVEL POLYHYDROXYLATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS Fundació Privada Institut d'Investigació Biomédica de Girona - Dr. Josep Trueta (ES) 2010-04-07 — — EP claimed
WO-2009000864-A1 NOVEL POLYHYDROXYLATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FUNDACIÓ PRIVADA INSTITUT D'INVESTIGACIÓ BIOMÈDICA DE GIRONA DR. JOSEP TRUETA (ES) 2008-12-31 — — WO claimed
US-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2010-07-29 — — US disclosed
US-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2010-07-29 — — US disclosed
US-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2010-07-29 — — US disclosed
EP-2170802-A1 NOVEL POLYHYDROXYLATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS Fundació Privada Institut d'Investigació Biomédica de Girona - Dr. Josep Trueta (ES) 2010-04-07 — — EP disclosed
WO-2009000864-A1 NOVEL POLYHYDROXYLATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FUNDACIÓ PRIVADA INSTITUT D'INVESTIGACIÓ BIOMÈDICA DE GIRONA DR. JOSEP TRUETA (ES) 2008-12-31 — — WO disclosed
WO-2009000864-A1 NOVEL POLYHYDROXYLATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FUNDACIÓ PRIVADA INSTITUT D'INVESTIGACIÓ BIOMÈDICA DE GIRONA DR. JOSEP TRUETA (ES) 2008-12-31 — — 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-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors FASN, SCD, FADS2 CA12 4827/4885CA1 4396/4885CA2 4131/4885

“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.

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