SCHEMBL565105

SCHEMBL565105

CC1(C)OCC(C#Cc2ccc(C#CCn3cc(C(=O)C(F)(F)F)c4ccccc43)cc2)(N(C(=O)O)C(C)(C)C)CO1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
IDO1 P14902 4/20 0.39
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 1/20 0.35
CFD P00746 2/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
APOBEC3A P31941 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL566573 0.75 HDAC1 (0.46) CNR1CNR2SMN1; SMN2
SCHEMBL564930 0.74 S1PR1 (0.52) KDM4EIDO1HTTALDH1A1MAPK1
SCHEMBL565729 0.73 KDM4E (0.56) KDM4EIDO1HTTALDH1A1MAPK1
SCHEMBL9996164 0.73 KDM4E (0.55) KDM4EIDO1HTTALDH1A1MAPK1
SCHEMBL566052 0.71 ACACB (0.31)
SCHEMBL564868 0.71 APP (0.32)
SCHEMBL565645 0.69 RARB (0.34) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL177206 0.65 KDM4E (0.67) KDM4EIDO1HTTALDH1A1MAPK1
SCHEMBL29051451 0.64 KDM4E (0.74) KDM4EIDO1HTTALDH1A1MAPK1
SCHEMBL3021653 0.64 KDM4E (0.53) KDM4EIDO1HTTALDH1A1CNR1

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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 KDM4E 1701/4885IDO1 1305/4885HTT 3688/4885

“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.