SCHEMBL15746282

SCHEMBL15746282

COc1cccc2c1CC(C)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 1.00
CYP19A1 P11511 2/20 0.54
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
AADAT Q8N5Z0 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TCF4 P15884 1/20 0.43
CTNNB1 P35222 1/20 0.43

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
SCHEMBL5952092 0.90 ACHE (0.82) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5275161 0.85 ACHE (0.73) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5952366 0.83 ACHE (0.71) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5951882 0.83 ACHE (0.69) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL31297867 0.82 ACHE (0.70) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5951716 0.82 ACHE (0.68) ACHE
SCHEMBL5953386 0.82 ACHE (0.68) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5951755 0.81 ACHE (0.69) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5952380 0.81 ACHE (0.68) ACHECYP19A1KDM4ELMNAPOLB
SCHEMBL5953320 0.81 ACHE (0.67) ACHECYP19A1KDM4E

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-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 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-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 ACHE 2716/4885CYP19A1 560/4885KDM4E 4827/4885

“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.