SCHEMBL3239165

SCHEMBL3239165

O=C(O)c1cccc(OCCC(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
NR1H4 Q96RI1 4/20 0.57
NR4A2 P43354 8/20 0.56
PLA2G4B P0C869 1/20 0.52
AKR1C3 P42330 1/20 0.51
POLB P06746 1/20 0.51
TBXAS1 P24557 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
FOLH1 Q04609 1/20 0.49

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
SCHEMBL3243788 0.86 KMT2A (0.48) KMT2ANR1H4NR4A2
SCHEMBL30167982 0.85 KMT2A (0.80) KMT2ANR1H4NR4A2PLA2G4BAKR1C3
SCHEMBL9803295 0.85 KMT2A (0.80) KMT2ANR1H4NR4A2PLA2G4BAKR1C3
SCHEMBL10787479 0.85 KMT2A (0.80) KMT2ANR1H4NR4A2PLA2G4BAKR1C3
SCHEMBL19019858 0.84 NR1H4 (0.76) KMT2ANR1H4NR4A2PLA2G4BAKR1C3
SCHEMBL30281398 0.84 NR4A2 (0.59) KMT2ANR1H4NR4A2AKR1C3NPC1
SCHEMBL2947246 0.84 NR4A2 (0.59) KMT2ANR1H4NR4A2AKR1C3NPC1
SCHEMBL3239119 0.84 MRGPRX4 (0.53) KMT2ANR1H4POLBNPC1RAB9A
SCHEMBL4509654 0.83 KMT2A (0.77) KMT2ANR1H4NR4A2PLA2G4BAKR1C3
SCHEMBL31133401 0.82 KMT2A (0.71) KMT2ANR1H4NR4A2PLA2G4BAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 KMT2A 3888/4885NR1H4 2942/4885NR4A2 3487/4885

“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.