SCHEMBL1010866

SCHEMBL1010866

CC(C)(Oc1ccc(CCNCC(Oc2ccc(Cl)cc2)c2nc3ccccc3o2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.52
PPARA Q07869 13/20 0.48
PPARG P37231 9/20 0.48
PPARD Q03181 4/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FABP2 P12104 1/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
PTPN1 P18031 1/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1009876 0.95 ADRB3 (0.56) ADRB3PPARAPPARGPPARDALDH1A1
SCHEMBL1009638 0.92 PPARG (0.50) ADRB3PPARAPPARGPPARDALDH1A1
SCHEMBL1009671 0.92 PPARA (0.47) ADRB3PPARAPPARGPPARDALDH1A1
SCHEMBL1010742 0.90 PPARG (0.51) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL1012350 0.89 MAPT (0.39) ADRB3PPARAPPARGPPARDALDH1A1
SCHEMBL1008687 0.87 PPARA (0.46) ADRB3PPARAPPARGPPARDALDH1A1
SCHEMBL1009685 0.86 PPARG (0.54) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL1011109 0.86 PPARA (0.50) ADRB3PPARAPPARGPPARDKDM4E
SCHEMBL1010703 0.85 PPARG (0.39) ADRB3PPARAPPARGPPARDALDH1A1
SCHEMBL1009987 0.85 PPARA (0.48) PPARAPPARGPPARDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661890-B1 PPAR-ACTIVATING COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KOWA CO (JP) 2011-01-05 EP disclosed
US-7183295-B2 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2007-02-27 US disclosed
US-7109226-B2 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2006-09-19 US disclosed
US-20060189667-A1 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1661890-A1 PPAR-ACTIVATING COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Kowa Co., Ltd. (JP) 2006-05-31 EP disclosed
US-20050101636-A1 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2005-05-12 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 (2 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-20060189667-A1 PPAR-activating compound and pharmaceutical composition comprising the compound PPARA, PPARG, PPARD ADRB3 62/4885PPARA 1/4885PPARG 2/4885
US-20050101636-A1 PPAR-activating compound and pharmaceutical composition comprising the compound PPARG, PPARA, PPARD ADRB3 97/4885PPARA 2/4885PPARG 1/4885

“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.