SCHEMBL4487755

SCHEMBL4487755

C=C(C(=O)OCCc1cccs1)C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ADAM17 P78536 2/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL3103728 0.78 MAPT (0.46) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL457177 0.78 CASP1 (0.52) TSHRALDH1A1LMNAKMT2AKDM4E
SCHEMBL5954056 0.77 CASP1 (0.44) ALDH1A1LMNAKDM4ECYP1A2CYP3A4
SCHEMBL27846966 0.76 NPC1 (0.37) LMNACYP2C9CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL3109439 0.76 NPC1 (0.49) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL4496308 0.74 ALDH1A1 (0.55) TSHRALDH1A1LMNAKMT2AKDM4E
SCHEMBL3098364 0.74 KCNA5 (0.42) TSHRKMT2AMEN1
SCHEMBL3109020 0.73 TRPV1 (0.45) LMNAKMT2ACYP3A4TDP1
SCHEMBL9075962 0.72 MAPT (0.47) TSHRALDH1A1KMT2AKDM4EMEN1
SCHEMBL27847151 0.71 CYP17A1 (0.45) KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 TSHR 2274/4885ADAM17 925/4885ALDH1A1 62/4885

“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.