SCHEMBL4895903

SCHEMBL4895903

CCCCOc1c(Cl)cc(C(O)C(=O)O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.46
▸ THRB P10828 4/20 0.46
▸ PLAU P00749 1/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ S1PR2 O95136 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ LPAR2 Q9HBW0 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PPARG P37231 1/20 0.36

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
SCHEMBL4895538 0.94 THRB (0.48) THRATHRBPLAUS1PR2S1PR1
SCHEMBL1708361 0.78 PLAU (0.68) THRATHRBPLAUESR1PLA2G2A
SCHEMBL4888397 0.76 PLAU (0.53) THRATHRBPLAUESR1PLA2G2A
SCHEMBL3685401 0.74 LMNA (0.57) TDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL1707251 0.74 ESR1 (0.51) THRATHRBPLAUESR1S1PR2
SCHEMBL6557422 0.72 PLA2G2A (0.64) THRATHRBPLAUS1PR2S1PR1
SCHEMBL12432454 0.72 PLA2G2A (0.64) THRATHRBPLAUS1PR2S1PR1
SCHEMBL31558760 0.72 LMNA (0.62) TDP1L3MBTL1LMNA
SCHEMBL7962067 0.72 RARG (0.40) ALDH1A1KDM4ELMNA
SCHEMBL12243847 0.71 MAPT (0.56) THRATHRBS1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 — — US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 — — EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 — — 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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 THRA 559/4885THRB 792/4885PLAU 1826/4885

“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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