SCHEMBL3901048

SCHEMBL3901048

O=C(O)c1ccc(C2CCCCC2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.64
KMO O15229 1/20 0.53
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
STAT3 P40763 4/20 0.47
DHODH Q02127 2/20 0.46
CYP3A4 P08684 2/20 0.45
SERPINE1 P05121 2/20 0.45
CYP2C9 P11712 1/20 0.45
APP P05067 1/20 0.45
KDM1A O60341 1/20 0.43
TBK1 Q9UHD2 3/20 0.43
HAO1 Q9UJM8 1/20 0.42

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
SCHEMBL3495200 0.98 ACMSD (0.63) ACMSDKMOKDM4EGLAHTT
SCHEMBL10148375 0.91 ACMSD (0.53) ACMSDKMOL3MBTL1STAT3DHODH
SCHEMBL9078348 0.85 ACMSD (0.47) ACMSDKMOKDM4EKMT2ADHODH
SCHEMBL23374556 0.84 ACMSD (0.75) ACMSDKMOKDM4EGLAHTT
SCHEMBL31583726 0.84 QDPR (0.50) ACMSDTBK1
Bicarbonate SCHEMBL8988240 0.83 ACMSD (0.54) ACMSDKMOKDM4EGLAHTT
SCHEMBL3903392 0.81 ACMSD (0.47) ACMSDKMOKDM4ESMN1; SMN2CYP3A4
SCHEMBL27592888 0.81 ACMSD (0.76) ACMSDKMOKDM4EGLAHTT
SCHEMBL3903846 0.81 ACMSD (0.60) ACMSDKMOKDM4EGLAHTT
SCHEMBL14268568 0.80 ACMSD (0.43) ACMSDSTAT3DHODHCYP2C9

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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 ACMSD 3158/4885KMO 1198/4885KDM4E 2795/4885

“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.