SCHEMBL6310916

SCHEMBL6310916

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ADRB3 P13945 4/20 0.44
ADRB1 P08588 3/20 0.44
NAMPT P43490 1/20 0.44
KCNA5 P22460 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
CYP19A1 P11511 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
NPY5R Q15761 1/20 0.41
EGLN2 Q96KS0 2/20 0.41
EGLN1 Q9GZT9 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL6316387 0.85 LMNA (0.45) RAB9ANPC1TP53RECQLSMN1; SMN2
SCHEMBL6310298 0.81 MAPT (0.48) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL5829259 0.80 L3MBTL1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6308253 0.80 ALOX15 (0.50) NPC1ADRB3ADRB1KCNA5MAPT
SCHEMBL3068944 0.77 RAB9A (0.45) RAB9ANPC1TP53RECQLSMN1; SMN2
SCHEMBL5929602 0.76 KCNA5 (0.57) SMN1; SMN2ADRB3ADRB1KCNA5ALDH1A1
SCHEMBL5929610 0.76 KCNA5 (0.57) SMN1; SMN2ADRB3ADRB1KCNA5ALDH1A1
SCHEMBL3103596 0.76 RAB9A (0.47) RAB9ANPC1TP53RECQLSMN1; SMN2
SCHEMBL6310768 0.76 NPY5R (0.49) RAB9ANPC1TP53RECQLSMN1; SMN2
SCHEMBL3067372 0.76 SMN1; SMN2 (0.55) SMN1; SMN2ADRB3ADRB1LMNAKDM4E

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
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO disclosed
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 RAB9A 2019/4885NPC1 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.