SCHEMBL659793

SCHEMBL659793

CCCCc1nc(C)n(-c2ccc(OC(C)C)cc2)c(=O)c1Cc1cc(CCC)c(O)c(CCC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTGES O14684 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
KDM4A O75164 1/20 0.34
MAPT P10636 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC33A1 O00400 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CCR2 P41597 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL660776 0.89 CACNA2D1 (0.40) APLNRCYP3A4CYP2C9CYP2C19POLB
SCHEMBL660726 0.85 L3MBTL1 (0.46) CYP3A4CYP2C9CYP2C19CYP1A2HRH3
SCHEMBL660846 0.85 PPARG (0.49)
SCHEMBL662341 0.83 PPARG (0.42)
SCHEMBL660881 0.78 DHFR (0.38) APLNRCYP3A4CYP2C9CYP2C19POLB
SCHEMBL663011 0.78 APLNR (0.40) APLNRCCR2CCR5DHFR
SCHEMBL662063 0.77 LMNA (0.39) APLNRCYP3A4CYP2C9CYP2C19POLB
SCHEMBL661904 0.77 DPP4 (0.39) CYP3A4CYP2C9CYP2C19POLBKDM4E
SCHEMBL661745 0.76 PPARG (0.45)
SCHEMBL661889 0.76 ALKBH1 (0.37) APLNRMAPTMAPK1CCR2CCR5

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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD APLNR 710/4885CYP3A4 937/4885CYP2C9 641/4885

“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.