SCHEMBL3533449

SCHEMBL3533449

CCOC(=O)COc1ccc(SCCCc2ccc(-c3ccc(CCCSc4ccc(OCC(=O)OCC)c(Cl)c4)c(C(F)(F)F)c3)cc2C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.38
PPARD Q03181 2/20 0.38
HPGD P15428 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
ADRB3 P13945 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL3536524 0.88 PPARD (0.49) TDP1ALDH1A1MAPTPPARDHPGD
SCHEMBL3533454 0.85 PPARD (0.41) MAPTPPARDPTGDR2PPARA
SCHEMBL3531677 0.82 PPARD (0.48) ALDH1A1MAPTPPARDHPGDPPARA
SCHEMBL3533093 0.80 PPARD (0.55) ALDH1A1MAPTPPARDHPGDPPARA
SCHEMBL3534377 0.80 RXRA (0.47) ALDH1A1PPARDRXRARXRBRXRG
SCHEMBL3537092 0.79 PPARD (0.50) ALDH1A1MAPTPPARDHPGDPPARA
SCHEMBL6273088 0.78 PPARD (0.41) PPARDRXRARXRBRXRGPTGDR2
SCHEMBL13114000 0.75 PPARD (0.37) ALDH1A1MAPTPPARDRXRARXRB
SCHEMBL5320603 0.74 MRGPRX4 (0.57) TDP1L3MBTL1ALDH1A1PPARDMRGPRX4
SCHEMBL3530204 0.73 PPARD (0.43) PPARDRXRARXRBRXRGPTGDR2

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-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD TDP1 4097/4885L3MBTL1 4881/4885ALDH1A1 926/4885

“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.