SCHEMBL22278941

SCHEMBL22278941

Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2N2CCOCC2)cc(C)c1OC(C)(C)C(=O)OC(C)(C)C

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.83
PPARD Q03181 10/20 0.83
KCNH2 Q12809 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL22279220 0.93 PPARA (0.82) PPARAPPARDKCNH2SCN10AALDH1A1
SCHEMBL22263424 0.91 PPARA (1.00) PPARAPPARDKCNH2SCN10AALDH1A1
SCHEMBL22263425 0.91 PPARA (1.00) PPARAPPARDKCNH2SCN10AALDH1A1
SCHEMBL22393988 0.90 PPARA (0.70) PPARAPPARDKCNH2KMT2AMEN1
SCHEMBL22394057 0.87 PPARA (0.66) PPARAPPARDKCNH2
SCHEMBL22393987 0.87 PPARA (0.66) PPARAPPARDKCNH2
SCHEMBL22279124 0.84 PPARA (0.80) PPARAPPARDKCNH2ALDH1A1MAPT
SCHEMBL22263440 0.83 PPARA (1.00) PPARAPPARDKCNH2SCN10AALDH1A1
SCHEMBL22263441 0.83 PPARA (1.00) PPARAPPARDKCNH2SCN10AALDH1A1
SCHEMBL22279206 0.82 PPARA (0.81) PPARAPPARDKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332457-B2 Aromatic compound, pharmaceutical composition and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-05-17 US disclosed
US-20200277277-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-09-03 US disclosed
US-20200239429-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-07-30 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 (3 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-11332457-B2 Aromatic compound, pharmaceutical composition and use thereof PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885KCNH2 1993/4885
US-20200277277-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885KCNH2 1993/4885
US-20200239429-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885KCNH2 1993/4885

“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.