SCHEMBL7040599

SCHEMBL7040599

O=C(c1ccccc1)c1ccc(OCCOc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)cc1.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.61
SERPINE1 P05121 3/20 0.60
TP53 P04637 3/20 0.57
PPARA Q07869 4/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7039855 0.99 PPARG (0.62) PPARGSERPINE1TP53PPARAMAPT
SCHEMBL7040738 0.90 TP53 (0.58) PPARGSERPINE1TP53PPARAMAPT
Lithium Ion SCHEMBL7040596 0.90 PPARG (0.68) PPARGSERPINE1TP53PPARAMAPT
SCHEMBL7038456 0.85 PPARG (0.62) PPARGSERPINE1TP53PPARAMAPT
SCHEMBL7038559 0.84 PPARG (0.59) PPARGSERPINE1TP53PPARAMAPT
SCHEMBL7040669 0.84 PPARG (0.59) PPARGSERPINE1TP53PPARAMAPT
SCHEMBL7038701 0.84 PPARG (0.62) PPARGSERPINE1TP53PPARAMAPT
SCHEMBL7037029 0.83 PPARG (0.60) PPARGSERPINE1TP53PPARAMAPT
SCHEMBL7035686 0.83 PPARG (0.60) PPARGSERPINE1TP53PPARAMAPT
SCHEMBL7034794 0.83 PPARG (0.57) PPARGSERPINE1TP53PPARAMAPT

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-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 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-20030073862-A1 Compounds PPARG, PPARA, PPARD PPARG 1/4885SERPINE1 1107/4885TP53 2763/4885

“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.