SCHEMBL13802400

SCHEMBL13802400

O=C(O)Cc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(O)cc12

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.61
ICMT O60725 11/20 0.54
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
AKR1C3 P42330 1/20 0.47
PPARD Q03181 3/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
PLA2G4A P47712 1/20 0.46

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
SCHEMBL2008743 0.89 PLA2G2A (0.70) PLA2G2AICMTALDH1A1LMNAPPARD
SCHEMBL2004159 0.85 PLA2G2A (0.81) PLA2G2AICMTALDH1A1LMNAPPARD
SCHEMBL13802401 0.83 PPARD (0.69) PLA2G2AICMTAKR1C3PPARDPPARG
SCHEMBL2005762 0.81 PLA2G2A (0.70) PLA2G2AICMTALDH1A1LMNAPPARD
SCHEMBL2008179 0.80 PLA2G2A (0.58) PLA2G2AICMTALDH1A1LMNAAKR1C3
SCHEMBL2002884 0.79 PLA2G2A (0.56) PLA2G2AALDH1A1LMNAPPARDPPARG
SCHEMBL8183003 0.79 ALDH1A1 (0.56) PLA2G2AICMTALDH1A1LMNAPPARD
SCHEMBL9585816 0.78 ICMT (0.56) PLA2G2AICMTALDH1A1LMNAPPARD
SCHEMBL8178374 0.77 HTR6 (0.62) ICMTALDH1A1LMNA
SCHEMBL20769719 0.76 ALDH1A1 (0.65) PLA2G2AICMTALDH1A1LMNAAKR1C3

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 PLA2G2A 409/4885ICMT 2891/4885ALDH1A1 2808/4885

“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.