SCHEMBL6359719

SCHEMBL6359719

CC(C)c1cccc(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.61
NPC1 O15118 14/20 0.61
TP53 P04637 3/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
PKM P14618 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAOB P27338 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL5934632 0.86 TP53 (0.55) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL5174923 0.84 NPC1 (0.84) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL5934674 0.82 TP53 (0.51) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL30926503 0.80 RAB9A (0.85) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL27181112 0.80 RAB9A (0.85) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL5173569 0.80 NPC1 (0.60) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL22699716 0.78 TRPV1 (0.63) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL5934670 0.78 MAPT (0.55) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL14082564 0.77 RAB9A (0.76) RAB9ANPC1TP53MAPTSMN1; SMN2
SCHEMBL5173449 0.77 RAB9A (0.74) RAB9ANPC1TP53MAPTSMN1; SMN2

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-20050165028-A1 e.g. 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide; analgesics, neuropathic pain, inflammation, arthritis, rheumatic diseases, inflammatory bowel disorders, eye disorders, or bladder disorders, psoriasis, wounds, burns, allergic skin, herpes simplex AMGEN, INC. 2005-07-28 US claimed

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-20050165028-A1 e.g. 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide; analgesics, neuropathic pain, inflammation, arthritis, rheumatic diseases, inflammatory bowel disorders, eye disorders, or bladder disorders, psoriasis, wounds, burns, allergic skin, herpes simplex BDKRB2, TRPV1, HRH2 RAB9A 1086/4885NPC1 3581/4885TP53 3839/4885

“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.