SCHEMBL4467904

SCHEMBL4467904

O=C1CCCc2[nH]c(=O)c(-c3ccccc3)c(O)c21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 1/20 0.43
BUB1 O43683 1/20 0.42
DYRK1A Q13627 1/20 0.41
PTK2 Q05397 1/20 0.41

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
SCHEMBL11265654 0.75 BRD4 (0.61) KMT2AL3MBTL1BRD4BUB1DYRK1A
SCHEMBL29824193 0.72 PARP1 (0.59) MAPTKMT2AL3MBTL1BRD4KDM4E
SCHEMBL23537356 0.72 PARP1 (0.59) MAPTKMT2AL3MBTL1BRD4KDM4E
SCHEMBL9803050 0.72 L3MBTL1 (0.48) MAPTKMT2AL3MBTL1BRD4KDM4E
SCHEMBL29824409 0.69 PARP1 (0.64) KMT2AL3MBTL1BRD4KDM4EBUB1
SCHEMBL23537328 0.69 PARP1 (0.64) KMT2AL3MBTL1BRD4KDM4EBUB1
SCHEMBL19952820 0.67 PARP1 (0.44) MAPTKMT2ABRD4KDM4E
SCHEMBL31027151 0.66 DYRK1A (0.58) MAPTKMT2AKDM4EDYRK1A
SCHEMBL4455323 0.66 MAPT (1.00) MAPTKMT2AKDM4E
SCHEMBL2220752 0.66 DYRK1A (0.58) MAPTKMT2AKDM4EDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
WO-2007089634-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) MERCK & CO., INC. (US) 2007-08-09 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-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) FASN, FADS2, FADS1 MAPT 4736/4885KMT2A 1811/4885L3MBTL1 2846/4885

“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.