SCHEMBL3103728

SCHEMBL3103728

C=C(C(=O)OCCc1ccc(Cl)cc1)C(O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
TSHR P16473 1/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
CYP19A1 P11511 1/20 0.42
HAT1 O14929 1/20 0.41
EP300 Q09472 1/20 0.41
TBXA2R P21731 3/20 0.41
TBXAS1 P24557 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.38

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
SCHEMBL3109439 0.88 NPC1 (0.49) MAPTADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL3114820 0.84 HTT (0.44) MAPTTSHRCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL5954056 0.83 CASP1 (0.44) MAPTSMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL3113999 0.81 CYP19A1 (0.46) TSHRCYP19A1SMN1; SMN2MEN1USP2
SCHEMBL3109204 0.80 MEN1 (0.49) MAPTTBXAS1MEN1ALDH1A1LMNA
SCHEMBL3098364 0.79 KCNA5 (0.42) TSHRTBXA2RTBXAS1MEN1KMT2A
SCHEMBL457177 0.79 CASP1 (0.52) MAPTTSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL4487755 0.78 TSHR (0.43) MAPTTSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL4496308 0.78 ALDH1A1 (0.55) MAPTTSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL4491155 0.78 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1KMT2ACYP3A4

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 9 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
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
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
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 MAPT 4862/4885SLC1A3 1786/4885SLC1A2 3561/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 MAPT 3631/4885SLC1A3 355/4885SLC1A2 410/4885

“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.