SCHEMBL133391

SCHEMBL133391

CC(C)CCCC(C)C1CCC2(C)C3CC(N)C45CC4CCC5C3CCC12C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EBP Q15125 7/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
INPP5D Q92835 2/20 0.47
NPC1L1 Q9UHC9 4/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
CDC25A P30304 3/20 0.39
POLA1 P09884 1/20 0.38
CDC25B P30305 1/20 0.37
HMGCR P04035 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL29367210 0.69 ATP1A1 (0.55) EBPCYP2D6CYP2C19INPP5DNPC1L1
SCHEMBL14886861 0.69 CYP2D6 (0.67) EBPCYP2D6CYP2C19INPP5DNPC1L1
SCHEMBL13185816 0.67 EBP (0.55) EBPNPC1L1MEN1USP2LMNA
SCHEMBL18714859 0.67 EBP (0.55) EBPINPP5DNPC1L1MEN1USP2
SCHEMBL17487215 0.67 EBP (0.55) EBPINPP5DNPC1L1MEN1USP2
SCHEMBL18714858 0.67 EBP (0.55) EBPINPP5DNPC1L1MEN1USP2
SCHEMBL17487216 0.67 EBP (0.55) EBPINPP5DNPC1L1MEN1USP2
SCHEMBL1937432 0.66 CYP2D6 (0.60) CYP2D6CYP2C19INPP5DNPC1L1MEN1
SCHEMBL19957934 0.65 CYP2D6 (0.65) CYP2D6CYP2C19INPP5DNPC1L1MEN1
SCHEMBL23645781 0.65 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DNPC1L1TP53

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-8790664-B2 Multimodular assembly useful for intracellular delivery INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-07-29 US disclosed
US-20120058139-A1 NOVEL MULTIMODULAR ASSEMBLY USEFUL FOR INTRACELLULAR DELIVERY INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-03-08 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-20120058139-A1 NOVEL MULTIMODULAR ASSEMBLY USEFUL FOR INTRACELLULAR DELIVERY PICALM, CHMP4B, CLTB EBP 4043/4885CYP2D6 4875/4885CYP2C19 4878/4885

“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.