SCHEMBL3451742

SCHEMBL3451742

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.61
▸ ALDH1A1 P00352 4/20 0.59
▸ MAPT P10636 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ KMT2A Q03164 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ HPGD P15428 3/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ GPBAR1 Q8TDU6 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PPARD Q03181 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54

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
SCHEMBL16448979 0.88 TSHR (0.66) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL13108797 0.84 TDP1 (0.70) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL12308580 0.84 TSHR (0.60) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL11894104 0.82 POLB (0.77) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL3452458 0.81 PPARD (0.64) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL2775568 0.80 MAPT (0.74) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL16230424 0.79 GHSR (0.52) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL17826839 0.79 TSHR (0.64) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL12204325 0.78 MAPT (0.67) TSHRALDH1A1MAPTLMNAGAA
SCHEMBL14185458 0.78 TSHR (0.63) TSHRALDH1A1MAPTLMNAGAA

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 7 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
EP-1745027-A4 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-06-03 — — EP disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 — — US disclosed
EP-1745027-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-01-24 — — EP disclosed
WO-2005113519-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-01 — — 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-20080114044-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD TSHR 559/4885ALDH1A1 1651/4885MAPT 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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