SCHEMBL6124162

SCHEMBL6124162

Cc1ccc2c(c1)OCCC21C(C)C1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BACE1 P56817 4/20 0.34
APP P05067 3/20 0.34
CYP19A1 P11511 1/20 0.34
NPC1 O15118 2/20 0.33
CYP3A4 P08684 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
MMP12 P39900 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL12234896 0.83 HTR2B (0.38) ALDH1A1GAAMAPTHSD17B10CYP19A1
SCHEMBL12234883 0.82 AKR1B1 (0.41) MAP3K14MAPTBACE1APP
SCHEMBL5835328 0.77 RARA (0.40) MAP3K14ALDH1A1GAAMAPTHSD17B10
SCHEMBL6124180 0.77 ITGB2 (0.41) MAP3K14GAA
SCHEMBL19889240 0.77 MAP3K14 (0.40) MAP3K14ALDH1A1GAAMAPTHSD17B10
SCHEMBL19889242 0.76 MAP3K14 (0.39) MAP3K14ALDH1A1GAAMAPTHSD17B10
SCHEMBL29295492 0.75 MAP3K14 (0.44) MAP3K14ALDH1A1GAAMAPTHSD17B10
SCHEMBL8089535 0.73 MAP3K14 (0.47) MAP3K14ALDH1A1GAAMAPTHSD17B10
SCHEMBL12234870 0.72 AKR1B1 (0.50) MAPTBACE1APP
SCHEMBL23996838 0.70 MAP3K14 (0.33) MAP3K14ALDH1A1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 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 (2 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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAP3K14 3819/4885ALDH1A1 1705/4885GAA 11/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MAP3K14 3091/4885ALDH1A1 3991/4885GAA 16/4885

“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.