SCHEMBL4156500

SCHEMBL4156500

COc1ccc(C(NCCCCCCO)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 4/20 0.39
CHRM2 P08172 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KIF11 P52732 2/20 0.39
MMP13 P45452 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36

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
SCHEMBL8053146 0.89 KIF11 (0.45) NPC1RAB9ACHRM2KIF11SMN1; SMN2
SCHEMBL10309879 0.89 KIF11 (0.45) NPC1RAB9ACHRM2KIF11SMN1; SMN2
SCHEMBL6302955 0.89 KIF11 (0.45) NPC1RAB9ACHRM2KIF11SMN1; SMN2
SCHEMBL2490249 0.88 NPC1 (0.42) NPC1RAB9AMAPTCHRM2ALDH1A1
SCHEMBL2489144 0.83 LMNA (0.45) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL2490317 0.83 KIF11 (0.37) NPC1RAB9AMAPTCHRM2ALDH1A1
SCHEMBL4160988 0.83 NPC1 (0.39) NPC1RAB9AMAPTCHRM2ALDH1A1
SCHEMBL888258 0.83 KIF11 (0.44) NPC1RAB9AKIF11SMN1; SMN2MEN1
SCHEMBL9439820 0.82 KIF11 (0.47) KIF11SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13772987 0.82 ACHE (0.52) NPC1RAB9AACHEMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 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-20090182135-A1 Amino modifiers BCAT2, AADAT, BCAT1 NPC1 4450/4885RAB9A 2724/4885ACHE 1503/4885

“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.