SCHEMBL892304

SCHEMBL892304

COc1ccc2c(c1)C(=O)[C@@H]1COCC[C@H]1C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
METAP1 P53582 5/20 0.47
CYP19A1 P11511 3/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PPIB P23284 1/20 0.36
ABCB1 P08183 1/20 0.36
AR P10275 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL878160 1.00 ACHE (0.55) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL14274030 0.71 ACHE (0.61) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL13497540 0.71 ACHE (0.61) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL13497521 0.71 ACHE (0.61) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL14308407 0.71 ACHE (0.61) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL29894949 0.71 ACHE (1.00) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL3860892 0.71 ACHE (1.00) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL14395400 0.70 ACHE (0.60) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL1180262 0.70 ACHE (0.69) ACHEMETAP1CYP19A1HTR2AHTR2C
SCHEMBL16311356 0.70 ACHE (0.69) ACHEMETAP1CYP19A1HTR2AHTR2C

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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 ACHE 31/4885METAP1 909/4885CYP19A1 2497/4885

“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.