SCHEMBL6310768

SCHEMBL6310768

CC(C(=O)Oc1ccc(Oc2ccccc2)cc1)C(O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.49
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PSMB5 P28074 1/20 0.43
GRM2 Q14416 1/20 0.42
NPY2R P49146 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTGS1 P23219 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NAMPT P43490 1/20 0.40
KCNA5 P22460 1/20 0.40

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
SCHEMBL6394358 0.87 PSMB5 (0.48) NPY5RNPC1TP53RECQLRAB9A
SCHEMBL3068944 0.86 RAB9A (0.45) NPY5RNPC1TP53RECQLRAB9A
SCHEMBL6310855 0.86 CYP19A1 (0.46) RAB9ACYP17A1CYP19A1ALDH1A1MAPT
SCHEMBL27693737 0.81 ATM (0.56) NPY5RNPY2RATML3MBTL1ALDH1A1
SCHEMBL27261767 0.81 ATM (0.56) NPY5RNPY2RATML3MBTL1ALDH1A1
SCHEMBL6316514 0.81 ALOX15 (0.49) L3MBTL1PTGS1ALDH1A1KCNA5
SCHEMBL6310860 0.81 MAPT (0.46) NPC1RAB9ACYP17A1CYP19A1HTT
SCHEMBL3075124 0.78 TSHR (0.49) NPY5RNPC1TP53RECQLRAB9A
SCHEMBL3067391 0.78 KMT2A (0.51) RAB9ASMN1; SMN2ALDH1A1KCNA5
SCHEMBL5929613 0.76 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR NPY5R 741/4885NPC1 1995/4885TP53 4039/4885

“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.