SCHEMBL3103596

SCHEMBL3103596

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
NPY5R Q15761 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
EGLN2 Q96KS0 2/20 0.39
EGLN1 Q9GZT9 2/20 0.39
KCNN4 O15554 2/20 0.39

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
SCHEMBL13817460 0.95 SMN1; SMN2 (0.47) RAB9ANPC1TP53RECQLSMN1; SMN2
SCHEMBL3103920 0.86 KMT2A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL3113999 0.86 CYP19A1 (0.46) RAB9ASMN1; SMN2ALDH1A1HTTNAMPT
SCHEMBL3097352 0.86 KMT2A (0.52) RAB9ATP53SMN1; SMN2ALDH1A1GAA
SCHEMBL3101186 0.86 KMT2A (0.52) RAB9ANPC1ALDH1A1GAAKDM4E
SCHEMBL3103554 0.85 LMNA (0.43) RAB9ANPC1TP53RECQLSMN1; SMN2
SCHEMBL27846974 0.83 CYP2A6 (0.40) SMN1; SMN2ALDH1A1LMNA
SCHEMBL27828255 0.83 RAB9A (0.43) RAB9ANPC1TP53RECQLSMN1; SMN2
SCHEMBL13817458 0.81 HPGD (0.58) NPY5RHPGDTDP1MAPK1HSD17B10
SCHEMBL3114013 0.81 ALOX15 (0.49) ALDH1A1KDM4EKCNA5SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101909452-A Fungicidal mixtures III BASF SE 2010-12-08 CN claimed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US claimed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP claimed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO claimed
CN-101909452-A Fungicidal mixtures III BASF SE 2010-12-08 CN disclosed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US disclosed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US disclosed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 WO 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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 RAB9A 1561/4885NPC1 993/4885TP53 3304/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 RAB9A 2421/4885NPC1 2050/4885TP53 4747/4885

“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.