SCHEMBL3075124

SCHEMBL3075124

O=C(Oc1ccc(Oc2ccccc2)cc1)C(c1cccs1)C(O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
RECQL P46063 1/20 0.39
NPY5R Q15761 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3076914 0.88 TSHR (0.50) TSHRRAB9ATP53ALDH1A1KDM4E
SCHEMBL3081201 0.88 TSHR (0.46) TSHRRAB9ANPC1TP53RECQL
SCHEMBL3068944 0.86 RAB9A (0.45) TSHRRAB9ANPC1TP53RECQL
SCHEMBL3072339 0.83 TSHR (0.47) TSHRRAB9ANPC1ALDH1A1KDM4E
SCHEMBL3068041 0.81 TSHR (0.49) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3074288 0.80 TSHR (0.50) TSHRTP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL6310768 0.78 NPY5R (0.49) RAB9ANPC1TP53RECQLNPY5R
SCHEMBL3069214 0.77 NPC1 (0.42) TSHRRAB9ANPC1TP53RECQL
SCHEMBL3067391 0.76 KMT2A (0.51) TSHRRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3071313 0.76 CYP19A1 (0.44) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA

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 8 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
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 (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 TSHR 907/4885RAB9A 2019/4885NPC1 1995/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 TSHR 364/4885RAB9A 2000/4885NPC1 1444/4885

“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.