SCHEMBL19090780

SCHEMBL19090780

CCC(C)NCC(C)(C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HCAR3 P49019 1/20 0.30

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
SCHEMBL20988204 0.82 CA1 (0.32) MMP1MMP2LMNASMN1; SMN2KDM4E
SCHEMBL17830452 0.81 TSHR (0.31) LMNA
SCHEMBL27220530 0.72 MEN1 (0.39) MEN1KMT2ANPSR1L3MBTL1SMN1; SMN2
SCHEMBL16133086 0.71 MEN1 (0.41) MEN1KMT2ANPSR1MMP1MMP2
SCHEMBL12285368 0.71 MEN1 (0.41) MEN1KMT2ANPSR1MMP1MMP2
SCHEMBL14791589 0.70 TP53 (0.32)
SCHEMBL2423251 0.70
SCHEMBL8466979 0.69 CYP2D6 (0.33) KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL21365628 0.69 MEN1 (0.36) MEN1KMT2ANPSR1
SCHEMBL19851260 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 MEN1 2837/4885KMT2A 2653/4885NPSR1 3850/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 MEN1 2837/4885KMT2A 2653/4885NPSR1 3850/4885

“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.