SCHEMBL1477912

SCHEMBL1477912

CC(=O)CC(c1ccc(Cl)cc1)c1c(O)oc2ccccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.63
ALB P02768 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
PCSK7 Q16549 1/20 0.60
VKORC1 Q9BQB6 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NR1I2 O75469 1/20 0.53
NR3C1 P04150 1/20 0.53
ADRA1A P35348 1/20 0.53
KCNH2 Q12809 1/20 0.53
NQO1 P15559 1/20 0.47
BRD4 O60885 1/20 0.47
CYP3A4 P08684 1/20 0.45

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
SCHEMBL20806 0.92 CYP2C9 (0.73) CYP2C9ALBHSD17B10ALDH1A1KDM4E
SCHEMBL1479347 0.92 CYP2C9 (0.73) CYP2C9ALBHSD17B10ALDH1A1KDM4E
SCHEMBL136434 0.92 CYP2C9 (0.73) CYP2C9ALBHSD17B10ALDH1A1KDM4E
Phosphoric Acid SCHEMBL28278851 0.86 CYP2C9 (0.66) CYP2C9ALBHSD17B10ALDH1A1KDM4E
Coumachlor SCHEMBL433455 0.85 CYP2C9 (0.84) CYP2C9ALBHSD17B10ALDH1A1KDM4E
Coumachlor SCHEMBL30930052 0.85 CYP2C9 (0.84) CYP2C9ALBHSD17B10ALDH1A1KDM4E
SCHEMBL43382 0.84 CYP2C9 (0.76) CYP2C9ALBHSD17B10ALDH1A1KDM4E
SCHEMBL1477562 0.84 CYP2C9 (0.76) CYP2C9ALBHSD17B10ALDH1A1KDM4E
SCHEMBL1478281 0.80 CYP2C9 (0.58) CYP2C9ALBHSD17B10ALDH1A1KDM4E
SCHEMBL29489752 0.80 CYP2C9 (0.58) CYP2C9ALBHSD17B10ALDH1A1KDM4E

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-1860158-B1 Particles comprising a substrate and an anion-binding layer MERCK PATENT GMBH (DE) 2013-12-04 EP disclosed
US-7914893-B2 Particles comprising an anion-binding layer containing anion-forming organic active compounds, and method of making and using thereof MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-20070275244-A1 Particles MERCK PATENT GMBH 2007-11-29 US disclosed
EP-1860158-A2 Particles comprising a substrate and an anion-binding layer MERCK PATENT GmbH (DE) 2007-11-28 EP disclosed
US-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-12-07 US 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-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients ENPP1, ENPP3, SMPD1 CYP2C9 1687/4885ALB 4278/4885HSD17B10 2715/4885

“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.