SCHEMBL3000837

SCHEMBL3000837

O=C(Oc1ccc(OC(=O)c2cc(O)cc(O)c2)c2ccccc12)c1cc(O)cc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.56
ESR2 Q92731 7/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 2/20 0.56
JAK2 O60674 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SERPINE1 P05121 1/20 0.53
ALOX5 P09917 2/20 0.50
PTGES O14684 1/20 0.50
POLB P06746 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47

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
SCHEMBL3005870 0.84 SERPINE1 (0.77) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL10783800 0.81 SERPINE1 (0.62) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL3269643 0.81 SERPINE1 (0.53) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL2995722 0.80 KMT2A (0.47) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL3005634 0.79 ESR1 (0.57) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL27059849 0.78 ALOX5 (0.70) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL8837626 0.77 ESR1 (0.50) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL10960406 0.77 NSD2 (0.70) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL23212126 0.76 ESR1 (0.84) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL3005004 0.76 SERPINE1 (0.77) ESR1ESR2KMT2AMEN1HSD17B10

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-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2010-07-29 US 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
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-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

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 ESR1 4322/4885ESR2 3034/4885KMT2A 3556/4885

“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.