SCHEMBL19861155

SCHEMBL19861155

CC(C)(C)CNCCNC(=O)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 4/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CA3 P07451 1/20 0.31
CA5A P35218 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
SCHEMBL19861145 0.88 MEN1 (0.39) HPGDSMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL19861263 0.88 MEN1 (0.43) HPGDSMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL4782817 0.87 HPGD (0.47) HPGDSMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL19861314 0.86 MEN1 (0.42) HPGDSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL19861326 0.86 MEN1 (0.42) HPGDSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL24125969 0.83 CA1 (0.34) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL15187228 0.83 MEN1 (0.52) ALDH1A1TSHRMEN1KMT2ACYP1A2
SCHEMBL18272882 0.82 ALDH1A1 (0.39) HPGDSMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL15187370 0.80 CASP2 (0.50) HPGDALDH1A1KMT2AGAA
SCHEMBL12028700 0.80 HPGD (0.46) HPGDSMN1; SMN2HSD17B10HTTLMNA

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 HPGD 3437/4885SMN1; SMN2 341/4885KDM4E 3207/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 HPGD 3619/4885SMN1; SMN2 649/4885KDM4E 3214/4885

“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.