SCHEMBL19090946

SCHEMBL19090946

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EPHX2 P34913 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
ACACB O00763 1/20 0.34
CHUK O15111 1/20 0.33
RPS6KA5 O75582 1/20 0.33
PRKD3 O94806 1/20 0.33
CDK1 P06493 1/20 0.33

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
SCHEMBL4576564 0.83 HDAC8 (0.52) GAAPOLBALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4576408 0.80 GAA (0.39) GAAPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL20988296 0.79 SHBG (0.42) GAAPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL621042 0.79 SMN1; SMN2 (0.53) GAAPOLBKMT2ASMN1; SMN2HTT
SCHEMBL4576146 0.78 SMN1; SMN2 (0.39) GAAPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL22618695 0.78 SMN1; SMN2 (0.36) GAAPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL10153802 0.72 CHRNB2 (0.43) POLBALDH1A1KMT2ASMN1; SMN2HSD17B10
SCHEMBL18869614 0.72 CHRNB2 (0.43) POLBALDH1A1KMT2ASMN1; SMN2HSD17B10
SCHEMBL25756810 0.69 CYP1A2 (0.37) GAAPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL172134 0.69

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-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 GAA 448/4885POLB 801/4885ALDH1A1 4446/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 GAA 448/4885POLB 801/4885ALDH1A1 4446/4885

“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.