SCHEMBL20988296

SCHEMBL20988296

CCC(CC)NNC(=O)C1CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.42
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.32
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TRPA1 O75762 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
SCHEMBL20988186 0.84 SMN1; SMN2 (0.46) GAASMN1; SMN2CYP2C9CYP2C19HSD17B10
SCHEMBL20988059 0.80 GAA (0.33) SHBGGAASMN1; SMN2CYP2C9CYP2C19
SCHEMBL19090946 0.79 GAA (0.39) SHBGGAASMN1; SMN2HSD17B10POLB
SCHEMBL8333126 0.72 GAA (0.45) NPSR1GAASMN1; SMN2KMT2AALDH1A1
SCHEMBL578418 0.71 KMT2A (0.45) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20928274 0.68 NAAA (0.51) GAASMN1; SMN2HSD17B10KMT2AALDH1A1
SCHEMBL10153802 0.68 CHRNB2 (0.43) SMN1; SMN2HSD17B10POLBHTTKMT2A
SCHEMBL18869614 0.68 CHRNB2 (0.43) SMN1; SMN2HSD17B10POLBHTTKMT2A
SCHEMBL621042 0.67 SMN1; SMN2 (0.53) GAASMN1; SMN2POLBHTTKMT2A
SCHEMBL23480154 0.67 GAA (0.65) NPSR1GAASMN1; SMN2CYP2C9CYP2C19

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-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 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-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 SHBG 4099/4885NPSR1 3850/4885GAA 448/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 SHBG 4099/4885NPSR1 3850/4885GAA 448/4885

“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.