SCHEMBL3101186

SCHEMBL3101186

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NPC1 O15118 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
SCHEMBL3103920 0.90 KMT2A (0.52) KMT2ARAB9AGAAALDH1A1NPC1
SCHEMBL13817460 0.88 SMN1; SMN2 (0.47) RAB9AKDM4EALDH1A1TSHRNPC1
SCHEMBL3113999 0.87 CYP19A1 (0.46) KMT2ARAB9AKDM4EALDH1A1TSHR
SCHEMBL3097352 0.87 KMT2A (0.52) KMT2ARAB9APOLBGAAALDH1A1
SCHEMBL3103596 0.86 RAB9A (0.47) RAB9AKDM4EGAAALDH1A1TSHR
SCHEMBL27846974 0.84 CYP2A6 (0.40) KMT2AALDH1A1
SCHEMBL13817457 0.84 HPGD (0.54) KMT2ARAB9APOLBGAAALDH1A1
SCHEMBL3108241 0.81 CYP11B1 (0.41) KMT2ARAB9APOLBGAACYP1A1
SCHEMBL3103206 0.81 MAPT (0.46) KMT2ARAB9AKDM4EALDH1A1NPSR1
SCHEMBL3114013 0.79 ALOX15 (0.49) KMT2APOLBKDM4EALDH1A1NPSR1

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 12 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

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 KMT2A 3860/4885RAB9A 1561/4885POLB 4399/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 KMT2A 1238/4885RAB9A 2421/4885POLB 4306/4885

“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.