SCHEMBL1885555

SCHEMBL1885555

CCCc1nc2c(N(Cc3ccccc3)C(=O)C(C)C)cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PPARG P37231 5/20 0.37
▸ PPARA Q07869 1/20 0.36
▸ AGTR1 P30556 2/20 0.35
▸ AGTR2 P50052 2/20 0.35
▸ TLR7 Q9NYK1 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MLYCD O95822 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
SCHEMBL1885462 0.82 KDM4E (0.39) KDM4EALDH1A1PPARGAGTR1AGTR2
SCHEMBL3051896 0.78 SMN1; SMN2 (0.40) KDM4EALDH1A1PPARGLMNAMAPT
SCHEMBL1888097 0.78 PPARG (0.38) KDM4EALDH1A1PPARGPPARAAGTR1
SCHEMBL1889761 0.75 KDM4E (0.44) KDM4EALDH1A1PPARGPPARAAGTR1
SCHEMBL1885440 0.74 CNR2 (0.40) KDM4EALDH1A1PPARGAGTR1AGTR2
SCHEMBL1891790 0.74 PPARG (0.40) KDM4EALDH1A1PPARGAGTR1AGTR2
SCHEMBL1883860 0.73 ALDH1A1 (0.35) KDM4EALDH1A1PPARGLMNA
SCHEMBL3047903 0.73 TRPM8 (0.38) KDM4EALDH1A1PPARGLMNA
SCHEMBL1885760 0.72 DCTPP1 (0.42) KDM4EALDH1A1PPARGPPARAAGTR1
SCHEMBL1883796 0.71 RAB9A (0.38) KDM4EALDH1A1PPARGAGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 — — 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-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 KDM4E 4800/4885ALDH1A1 331/4885PPARG 123/4885

“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.

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