SCHEMBL5576892

SCHEMBL5576892

COC(=O)c1c(OC)c2cc(Cl)c(Cl)cc2c(=O)n1CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
MAPK8 P45983 6/20 0.36
CCR2 P41597 1/20 0.36
ABCB11 O95342 1/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5577131 0.90 GABRA1 (0.35) PDE3BPDE3ACCR2ABCB11GAA
SCHEMBL5576340 0.89 CCR2 (0.46) CCR2ABCB11GAAPOLBNPSR1
SCHEMBL5576540 0.87 ALDH1A1 (0.35) CCR2ABCB11GAAPOLBNPSR1
SCHEMBL5576492 0.86 MAPK8 (0.37) MAPK8GAAPOLBNPSR1KDM4E
Hydrochloric Acid SCHEMBL5577115 0.79 MEN1 (0.37) POLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5577102 0.77 HTR4 (0.46) GAANPSR1KDM4EALDH1A1
SCHEMBL5239284 0.76 ESR1 (0.38) GAAPOLBNPSR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5577110 0.76 MAPK1 (0.47)
SCHEMBL5239288 0.75 TSHR (0.36) GAAPOLBNPSR1KDM4EALDH1A1
SCHEMBL5576641 0.75 GABRA1 (0.36) GAAPOLBNPSR1ALDH1A1

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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US claimed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP claimed
US-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR PDE3B 2977/4885PDE3A 3220/4885MAPK8 1528/4885

“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.