SCHEMBL2995722

SCHEMBL2995722

O=C(Oc1cc(OC(=O)c2cc(O)cc(O)c2)c2ccccc2c1)c1cc(O)cc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 2/20 0.47
PTGES O14684 1/20 0.47
SERPINE1 P05121 1/20 0.45
NSD2 O96028 1/20 0.44
ESR1 P03372 3/20 0.41
GAA P10253 2/20 0.41
ESR2 Q92731 2/20 0.41
HSD17B10 Q99714 2/20 0.41
JAK2 O60674 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
NQO2 P16083 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL3000884 0.88 SERPINE1 (0.62) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL30821431 0.88 SERPINE1 (0.62) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL3006064 0.86 SERPINE1 (0.48) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL2991316 0.84 SERPINE1 (0.45) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL3000109 0.83 SERPINE1 (0.51) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL3000837 0.80 ESR1 (0.56) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL10960406 0.77 NSD2 (0.70) KMT2AMEN1MAPTTDP1ALOX5
SCHEMBL9967346 0.76 CA12 (0.58) KMT2AMEN1MAPTTDP1SERPINE1
SCHEMBL15103581 0.76 ALDH1A1 (0.44) KMT2AMEN1MAPTTDP1GAA
SCHEMBL18697311 0.74 ALDH1A1 (0.39) KMT2AMEN1MAPTTDP1ALOX5

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 KMT2A 3556/4885MEN1 4821/4885MAPT 3015/4885

“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.