SCHEMBL3068944

SCHEMBL3068944

O=C(Oc1ccc(Oc2ccccc2)cc1)C(c1ccccc1)C(O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPY5R Q15761 1/20 0.44
NAMPT P43490 1/20 0.41
KCNA5 P22460 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SRD5A2 P31213 1/20 0.40
CFTR P13569 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 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
SCHEMBL3071313 0.89 CYP19A1 (0.44) SMN1; SMN2KCNA5ALDH1A1MAPTKDM4E
SCHEMBL3067391 0.89 KMT2A (0.51) RAB9ASMN1; SMN2KCNA5ALDH1A1KDM4E
SCHEMBL3075124 0.86 TSHR (0.49) RAB9ANPC1TP53RECQLSMN1; SMN2
SCHEMBL6310768 0.86 NPY5R (0.49) RAB9ANPC1TP53RECQLSMN1; SMN2
SCHEMBL3069625 0.85 LMNA (0.45) RAB9ANPC1TP53RECQLSMN1; SMN2
SCHEMBL3075817 0.83 ALOX15 (0.48) SMN1; SMN2KCNA5ALDH1A1KDM4ESLC6A2
SCHEMBL3079297 0.80 KCNA5 (0.46) KCNA5MAPTTSHRATMLMNA
SCHEMBL3074237 0.79 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2KCNA5ALDH1A1
SCHEMBL3074125 0.79 SMN1; SMN2 (0.43) SMN1; SMN2KCNA5ALDH1A1KDM4EL3MBTL1
SCHEMBL6505819 0.77 SMN1; SMN2 (0.58) SMN1; SMN2KCNA5ALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 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 (2 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
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 RAB9A 2000/4885NPC1 1444/4885TP53 3976/4885

“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.