SCHEMBL20100736

SCHEMBL20100736

CCCOCC(=O)NC(C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.38
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
CES2 O00748 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL19033101 0.83 SMN1; SMN2 (0.43) SMN1; SMN2GAAHPGDNPSR1L3MBTL1
SCHEMBL26502774 0.81 MEN1 (0.38) SMN1; SMN2GAAHPGDNPSR1L3MBTL1
SCHEMBL24938423 0.80 GAA (0.41) SMN1; SMN2GAAHPGDNPSR1L3MBTL1
SCHEMBL20234246 0.80 SMN1; SMN2 (0.41) SMN1; SMN2GAAHPGDNPSR1L3MBTL1
SCHEMBL20234241 0.78 ALDH1A1 (0.41) SMN1; SMN2GAAHPGDNPSR1L3MBTL1
SCHEMBL20104859 0.76 ALDH1A1 (0.42) SMN1; SMN2GAAHPGDNPSR1L3MBTL1
SCHEMBL12052384 0.76 TSHR (0.39) SMN1; SMN2GAAHPGDNPSR1L3MBTL1
SCHEMBL24242137 0.75 SMN1; SMN2 (0.49) SMN1; SMN2GAAHPGDNPSR1L3MBTL1
SCHEMBL24725186 0.75 PLA2G2C (0.40) SMN1; SMN2L3MBTL1HSD17B10ACACBACACA
SCHEMBL26700232 0.74 PLA2G2C (0.42) HPGDALDH1A1HSD17B10CES2CYP1A2

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-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID NICOX S.A. (FR) 2018-05-03 US disclosed
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2018-05-03 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 (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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR SMN1; SMN2 4789/4885GAA 4499/4885HPGD 7/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 SMN1; SMN2 4557/4885GAA 3479/4885HPGD 10/4885

“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.