SCHEMBL4460099

SCHEMBL4460099

CCOC(=O)CCCOc1cc2c(cc1Br)CCC2=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.64
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TNF P01375 3/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
STING1 Q86WV6 2/20 0.38
PTPN1 P18031 2/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL12937753 0.88 BRD4 (0.67) BRD4ALDH1A1GAAPDE4APDE4B
SCHEMBL4553004 0.86 BRD4 (0.64) BRD4ALDH1A1GAAPDE4APDE4B
SCHEMBL4447367 0.86 BRD4 (0.64) BRD4ALDH1A1GAAPDE4APDE4B
SCHEMBL4460421 0.81 BRD4 (0.58) BRD4ALDH1A1GAAPDE4APDE4B
SCHEMBL30701777 0.80 HTR2A (0.43) BRD4PDE4AKMT2ATSHR
SCHEMBL27029704 0.80 HTR2A (0.43) BRD4PDE4AKMT2ATSHR
SCHEMBL4458626 0.79 BRD4 (0.58) BRD4ALDH1A1GAAPDE4APDE4B
SCHEMBL22815609 0.78 BRD4 (0.82) BRD4ALDH1A1GAAPDE3BPDE3A
SCHEMBL13956426 0.74 BRD4 (0.48) BRD4ALDH1A1KDM4EKMT2ATSHR
SCHEMBL28365097 0.74 GAA (0.62) ALDH1A1GAAKDM4EKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 US disclosed
EP-1583738-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GmbH (DE) 2005-10-12 EP disclosed
WO-2004063148-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2004-07-29 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-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 BRD4 2964/4885ALDH1A1 2283/4885GAA 3466/4885

“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.