SCHEMBL10193657

SCHEMBL10193657

COC(=O)/C(Cc1ccc(OCCN)cc1)=C(\OC(C)=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE4A P27815 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP19A1 P11511 4/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
ACACB O00763 1/20 0.36
LTA4H P09960 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2A6 P11509 1/20 0.36
CYP3A5 P20815 1/20 0.36

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
SCHEMBL10193655 0.86 TDP1 (0.40) POLBCYP1A2KDM4ECYP19A1CYP3A4
SCHEMBL800095 0.85 POLB (0.41) ITGB3ITGA2BPOLBCYP1A2CYP2D6
SCHEMBL10193668 0.85 MTNR1A (0.40) CYP1A2KDM4ESMN1; SMN2CYP3A4
SCHEMBL304366 0.83 KDM4E (0.41) ITGB3ITGA2BPOLBCYP1A2CYP2D6
SCHEMBL304364 0.83 KDM4E (0.41) ITGB3ITGA2BPOLBCYP1A2CYP2D6
SCHEMBL10193659 0.80 TBXAS1 (0.58) KDM4ESMN1; SMN2ACACB
SCHEMBL10193634 0.79 KMT2A (0.40) POLBSMN1; SMN2ACACB
SCHEMBL10193643 0.75 SPHK2 (0.40) ITGB3ITGA2BSMN1; SMN2
SCHEMBL10897821 0.75 POLB (0.54) ITGB3ITGA2BPOLBCYP1A2CYP2D6
SCHEMBL15914403 0.73 CYP2D6 (0.36) CYP1A2CYP2D6KDM4EPDE4ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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 (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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA ITGB3 4794/4885ITGA2B 3950/4885POLB 385/4885

“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.