SCHEMBL9684084

SCHEMBL9684084

COC(=O)/C=C(\Oc1ccc(F)cc1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.39
FAAH O00519 2/20 0.38
NFE2L2 Q16236 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL9684093 1.00 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1CYP1A2HPGD
SCHEMBL14459499 0.84 EPHX2 (0.46) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL14458708 0.83 KDM4E (0.52) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL21187006 0.83 KDM4E (0.52) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL19743723 0.79 PDE4A (0.42) SMN1; SMN2KDM4EALDH1A1CYP1A2HPGD
SCHEMBL29986171 0.79 LMNA (0.44) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL19744050 0.79 LMNA (0.44) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL21187112 0.79 LMNA (0.44) SMN1; SMN2KDM4EALDH1A1HPGDKMT2A
SCHEMBL19744159 0.79 PDE4A (0.42) SMN1; SMN2KDM4EALDH1A1CYP1A2HPGD
SCHEMBL4251629 0.78 GAA (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003810-B2 Process for preparing Nebivolol ZACH SYSTEM S.P.A. (IT) 2011-08-23 US disclosed
US-8003810-B2 Process for preparing Nebivolol ZACH SYSTEM S.P.A. (IT) 2011-08-23 US disclosed
US-20100076206-A1 PROCESS FOR PREPARING NEBIVOLOL ZACH SYSTEM S.P.A. (IT) 2010-03-25 US disclosed
US-20100076206-A1 PROCESS FOR PREPARING NEBIVOLOL ZACH SYSTEM S.P.A. (IT) 2010-03-25 US disclosed
US-5171865-A Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1992-12-15 US disclosed
EP-0331078-A2 Process for the preparation of optically active 4-oxo-1-benzopyran-2-carboxylic acid derivatives and intermediates thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-09-06 EP 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-20100076206-A1 PROCESS FOR PREPARING NEBIVOLOL ADRB1, ADRB2, ADRA1B SMN1; SMN2 3992/4885KDM4E 2048/4885ALDH1A1 281/4885

“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.