SCHEMBL3005074

SCHEMBL3005074

O=C(Oc1ccc(-c2ccc(OC(=O)c3ccc(O)c(O)c3)cc2)cc1)c1ccc(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.56
▸ CA1 P00915 4/20 0.56
▸ CA2 P00918 4/20 0.56
▸ CA7 P43166 4/20 0.56
▸ CA9 Q16790 4/20 0.56
▸ CA14 Q9ULX7 4/20 0.56
▸ XDH P47989 1/20 0.56
▸ NSD2 O96028 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA6 P23280 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45

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
SCHEMBL13286874 0.94 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2994752 0.91 NSD2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL10784179 0.89 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2761252 0.87 CA1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL18121547 0.87 KMT2A (0.57) CA12CA1CA2CA7CA9
SCHEMBL18329185 0.86 CA1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL18121554 0.86 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL2991344 0.85 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL30674458 0.85 NSD2 (0.71) CA12CA1CA2CA7CA9
SCHEMBL8204859 0.85 NSD2 (0.71) CA12CA1CA2CA7CA9

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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