SCHEMBL19861314

SCHEMBL19861314

CC(C)(C)CNCCCCCCNC(=O)CC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP2 P42575 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NAAA Q02083 1/20 0.38
HDAC3 O15379 4/20 0.37
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC7 Q8WUI4 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC10 Q969S8 4/20 0.37
HDAC11 Q96DB2 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37

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
SCHEMBL19861326 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2CASP2
SCHEMBL19861263 0.98 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2CASP2
SCHEMBL19861145 0.94 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2CASP2
SCHEMBL23518488 0.88 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2CASP2
SCHEMBL19861155 0.86 HPGD (0.40) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL26504642 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2CASP2
SCHEMBL15187262 0.85 MEN1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2CASP2
SCHEMBL15187048 0.85 MEN1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2CASP2
SCHEMBL15187237 0.83 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2CASP2
SCHEMBL26504638 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2CASP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 MEN1 523/4885KMT2A 4492/4885ALDH1A1 2350/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 MEN1 786/4885KMT2A 4495/4885ALDH1A1 2376/4885

“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.