SCHEMBL2997630

SCHEMBL2997630

O=C(Oc1ccc(OC(=O)c2ccccc2)c(-c2ccccc2)c1)c1cc(O)c(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.61
SERPINE1 P05121 2/20 0.59
SELL P14151 1/20 0.55
SELP P16109 1/20 0.55
KMT2A Q03164 8/20 0.50
MAPT P10636 7/20 0.50
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
POLB P06746 2/20 0.50
POLA1 P09884 1/20 0.50
ANTXR2 P58335 1/20 0.50
CA9 Q16790 2/20 0.49
HSD17B10 Q99714 2/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
JAK2 O60674 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL3005068 0.97 NSD2 (0.65) NSD2SERPINE1SELLSELPKMT2A
SCHEMBL777827 0.86 KMT2A (0.49) NSD2SERPINE1SELLSELPKMT2A
SCHEMBL10783364 0.85 KMT2A (0.50) NSD2KMT2AMAPTMEN1TDP1
SCHEMBL14297917 0.82 KMT2A (0.55) KMT2AMAPTMEN1TDP1CA9
SCHEMBL30257503 0.81 NSD2 (0.71) NSD2SERPINE1SELLSELPKMT2A
SCHEMBL26706180 0.80 NSD2 (0.78) NSD2SERPINE1SELLSELPKMT2A
SCHEMBL30307951 0.80 NSD2 (0.78) NSD2SERPINE1SELLSELPKMT2A
SCHEMBL30257698 0.80 NSD2 (0.78) NSD2SERPINE1SELLSELPKMT2A
SCHEMBL8849838 0.80 ESR1 (0.50) NSD2SERPINE1SELLSELPKMT2A
SCHEMBL777890 0.79 KMT2A (0.52) NSD2KMT2AMAPTMEN1TDP1

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 12 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
EP-2019091-A1 Novel polyhydroxylated compounds as Fatty Acid Synthase (FASN) inhibitors Fundació Privada Institut d'Investigació Biomédica de Girona - Dr. Josep Trueta (ES) 2009-01-28 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
EP-2019091-A1 Novel polyhydroxylated compounds as Fatty Acid Synthase (FASN) inhibitors Fundació Privada Institut d'Investigació Biomédica de Girona - Dr. Josep Trueta (ES) 2009-01-28 EP disclosed
EP-2019091-A1 Novel polyhydroxylated compounds as Fatty Acid Synthase (FASN) inhibitors Fundació Privada Institut d'Investigació Biomédica de Girona - Dr. Josep Trueta (ES) 2009-01-28 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 NSD2 4060/4885SERPINE1 1776/4885SELL 3492/4885

“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.