SCHEMBL15418773

SCHEMBL15418773

CC(C)(C)OC(=O)C#CCCCCO

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SPHK1 Q9NYA1 1/20 0.36
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
CTSK P43235 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
SCHEMBL1088614 0.85 SPHK1 (0.47) TDP1SPHK1
SCHEMBL1100128 0.84 SPHK1 (0.49) TDP1SPHK1
SCHEMBL1088319 0.83 SPHK1 (0.42) TDP1SPHK1CTSK
SCHEMBL29060117 0.81 SPHK1 (0.33) SPHK1CTSK
Iodide SCHEMBL7205304 0.80 SPHK1 (0.33) SPHK1CTSK
SCHEMBL7205303 0.80 SPHK1 (0.33) SPHK1CTSK
SCHEMBL15418650 0.79 CTSK (0.36) SPHK1CTSK
SCHEMBL18180487 0.79 CYP4A11 (0.33) TDP1CYP4F2CYP4A11
SCHEMBL1089166 0.79 SPHK1 (0.35) SPHK1CTSK
SCHEMBL27014757 0.78 CTSK (0.35) TDP1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527853-B2 Fused triazole derivatives as gamma secretase modulators ARES TRADING S.A. (CH) 2016-12-27 US disclosed
US-9527853-B2 Fused triazole derivatives as gamma secretase modulators ARES TRADING S.A. (CH) 2016-12-27 US disclosed
EP-2875025-B1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ARES TRADING SA (CH) 2016-11-30 EP disclosed
US-20150183790-A1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS MERCK PATENT GMBH (DE) 2015-07-02 US disclosed
US-20150183790-A1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS MERCK PATENT GMBH (DE) 2015-07-02 US disclosed
EP-2687528-A1 Fused triazole derivatives as gamma secretase modulators ARES TRADING S.A. (CH) 2014-01-22 EP 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-20150183790-A1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, GSAP, BACE2 TDP1 1272/4885SPHK1 2091/4885CYP4F2 2406/4885

“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.