SCHEMBL13108797

SCHEMBL13108797

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCCOc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.70
▸ ATM Q13315 1/20 0.67
▸ MAPT P10636 6/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ GAA P10253 3/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PPARD Q03181 1/20 0.58
▸ NPC1 O15118 1/20 0.56
▸ TSHR P16473 2/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ HPGD P15428 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GLA P06280 1/20 0.52
▸ PKM P14618 1/20 0.52

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
SCHEMBL3451742 0.84 TSHR (0.61) TDP1MAPTALDH1A1GAALMNA
SCHEMBL12204325 0.83 MAPT (0.67) TDP1MAPTALDH1A1GAALMNA
SCHEMBL16448979 0.83 TSHR (0.66) TDP1MAPTALDH1A1GAALMNA
SCHEMBL3452458 0.83 PPARD (0.64) TDP1ATMMAPTALDH1A1GAA
SCHEMBL12308580 0.79 TSHR (0.60) TDP1MAPTALDH1A1GAALMNA
SCHEMBL11894104 0.78 POLB (0.77) TDP1MAPTALDH1A1GAALMNA
SCHEMBL3633629 0.76 PTGS2 (0.64) MAPTALDH1A1LMNATSHRPTGS2
SCHEMBL316185 0.76 ALDH1A1 (0.76) TDP1MAPTALDH1A1GAALMNA
SCHEMBL2775568 0.75 MAPT (0.74) ATMMAPTALDH1A1GAALMNA
SCHEMBL12584940 0.75 MAPT (0.64) MAPTALDH1A1GAALMNATSHR

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 2 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-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 TDP1 3465/4885ATM 1691/4885MAPT 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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