SCHEMBL3452458

SCHEMBL3452458

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 2/20 0.64
▸ TDP1 Q9NUW8 3/20 0.60
▸ MAPT P10636 3/20 0.59
▸ TP53 P04637 1/20 0.59
▸ NPC1 O15118 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ GPBAR1 Q8TDU6 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ SCN9A Q15858 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49

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
SCHEMBL13108797 0.83 TDP1 (0.70) PPARDTDP1MAPTNPC1TSHR
SCHEMBL3451742 0.81 TSHR (0.61) PPARDTDP1MAPTL3MBTL1GPBAR1
SCHEMBL16448979 0.79 TSHR (0.66) TDP1MAPTTP53L3MBTL1GPBAR1
SCHEMBL12204324 0.79 PPARD (0.65) PPARDTDP1NPC1TSHRPTGS2
SCHEMBL3451433 0.78 PPARD (1.00) PPARDTDP1MAPTNPC1L3MBTL1
SCHEMBL12308580 0.75 TSHR (0.60) TDP1MAPTL3MBTL1GPBAR1TSHR
SCHEMBL11894104 0.74 POLB (0.77) TDP1MAPTL3MBTL1TSHRPTGS2
SCHEMBL11893455 0.73 MAPT (0.61) PPARDTDP1MAPTTP53NPC1
SCHEMBL2775568 0.72 MAPT (0.74) MAPTTP53GPBAR1TSHRHPGD
SCHEMBL17826839 0.71 TSHR (0.64) TDP1MAPTL3MBTL1GPBAR1TSHR

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
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 — — US disclosed
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 — — US disclosed
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 — — US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 — — US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 — — US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 — — 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-20080114044-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD PPARD 3/4885TDP1 3465/4885MAPT 3464/4885

“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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