SCHEMBL3239222

SCHEMBL3239222

C=CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
LMNA P02545 3/20 0.46
TRPA1 O75762 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
EPHX1 P07099 3/20 0.43
NFE2L2 Q16236 1/20 0.41
HPGD P15428 1/20 0.40
CYP19A1 P11511 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 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
SCHEMBL3185259 1.00 ALDH1A1 (0.49) ALDH1A1LMNATRPA1TRPM8EPHX1
SCHEMBL3185253 1.00 ALDH1A1 (0.49) ALDH1A1LMNATRPA1TRPM8EPHX1
Menthol SCHEMBL1599560 0.88 TRPA1 (0.60) ALDH1A1LMNATRPA1TRPM8EPHX1
SCHEMBL28792394 0.87 ALDH1A1 (0.50) ALDH1A1LMNATRPA1TRPM8EPHX1
SCHEMBL2633946 0.83 ALDH1A1 (0.50) ALDH1A1LMNATRPA1TRPM8EPHX1
SCHEMBL96535 0.83 ALDH1A1 (0.50) ALDH1A1LMNATRPA1TRPM8EPHX1
SCHEMBL7793167 0.82 ALDH1A1 (0.46) ALDH1A1LMNATRPA1TRPM8EPHX1
SCHEMBL16312990 0.79 ALDH1A1 (0.46) ALDH1A1LMNATRPA1TRPM8EPHX1
SCHEMBL197029 0.79 ALDH1A1 (0.57) ALDH1A1LMNATRPA1TRPM8EPHX1
SCHEMBL14480014 0.79 ALDH1A1 (0.57) ALDH1A1LMNATRPA1TRPM8EPHX1

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-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 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 (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-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP ALDH1A1 893/4885LMNA 877/4885TRPA1 4096/4885

“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.