SCHEMBL13222802

SCHEMBL13222802

CC(C)[C@@H](C)OCCCCn1cncn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL13245241 0.87 MAPK1 (0.49) MAPK1MEN1KMT2AKDM4EGAA
SCHEMBL25493018 0.81 MEN1 (0.48) MAPK1MEN1KMT2AKDM4EGAA
SCHEMBL17159811 0.76 EGLN3 (0.56) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13222788 0.74 MEN1 (0.47) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL13222798 0.74 KCNA3 (0.36) KDM4EALDH1A1TSHRLMNANPC1
SCHEMBL29518112 0.74 EGLN3 (0.54) MAPK1MEN1KMT2AKDM4EGAA
SCHEMBL2535061 0.74 EGLN3 (0.54) MAPK1MEN1KMT2AKDM4EGAA
SCHEMBL738419 0.74 ALDH1A1 (0.50) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL19018153 0.74 MEN1 (0.39) MAPK1MEN1KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL2530861 0.72 EGLN3 (0.52) MAPK1MEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481483-B2 Cyclosporin analogues ENANTA PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8481483-B2 Cyclosporin analogues ENANTA PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20100209390-A1 CYCLOSPORIN ANALOGUES ENANTA PHARMACEUTICALS, INC. 2010-08-19 US disclosed
US-20100209390-A1 CYCLOSPORIN ANALOGUES ENANTA PHARMACEUTICALS, INC. 2010-08-19 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 (1 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-20100209390-A1 CYCLOSPORIN ANALOGUES HAVCR2, CHP1, ICOS MAPK1 1983/4885MEN1 2859/4885KMT2A 4807/4885

“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.