SCHEMBL13802401

SCHEMBL13802401

O=C(O)Cc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.69
PPARA Q07869 9/20 0.69
PPARG P37231 6/20 0.69
LTB4R Q15722 1/20 0.58
LTB4R2 Q9NPC1 1/20 0.58
PLA2G2A P14555 5/20 0.57
ICMT O60725 2/20 0.55
AKR1C3 P42330 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
SCHEMBL5639523 0.89 PPARD (0.60) PPARDPPARAPPARGLTB4RLTB4R2
SCHEMBL8166905 0.88 PPARD (0.74) PPARDPPARAPPARGLTB4RLTB4R2
SCHEMBL13930965 0.86 PPARD (0.77) PPARDPPARAPPARGLTB4RLTB4R2
SCHEMBL8175031 0.84 PPARD (0.72) PPARDPPARAPPARGLTB4RLTB4R2
SCHEMBL13802400 0.83 PLA2G2A (0.61) PPARDPPARAPPARGPLA2G2AICMT
SCHEMBL5802889 0.83 PPARD (0.54) PPARDPPARAPPARGLTB4RLTB4R2
SCHEMBL8174602 0.83 PPARD (0.70) PPARDPPARAPPARGLTB4RLTB4R2
SCHEMBL8183003 0.83 ALDH1A1 (0.56) PPARDPPARAPPARGPLA2G2AICMT
SCHEMBL8299582 0.83 PLA2G2A (0.78) PPARDPPARAPPARGLTB4RLTB4R2
SCHEMBL4257266 0.82 PPARD (0.69) PPARDPPARAPPARGLTB4RLTB4R2

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 PPARD 1442/4885PPARA 744/4885PPARG 1385/4885

“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.