SCHEMBL22914872

SCHEMBL22914872

CC1(CCc2ccccc2)COC1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BACE1 P56817 2/20 0.40
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
TAAR1 Q96RJ0 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
SCHEMBL22728644 0.90 GAA (0.38) GAAL3MBTL1
SCHEMBL11696413 0.82 CNR2 (0.43) GAAL3MBTL1BACE1LMNA
SCHEMBL576153 0.79 GAA (0.39) GAAL3MBTL1BACE1HPGDALOX12
SCHEMBL22728705 0.74 NAAA (0.39) TAAR1
SCHEMBL22013858 0.72 GAA (0.41) GAAL3MBTL1ATMHPGDALOX12
SCHEMBL7997821 0.72 GAA (0.41) GAAL3MBTL1ATMHPGDALOX12
SCHEMBL9139804 0.71
SCHEMBL9251968 0.71 TSHR (0.50) GAAL3MBTL1BACE1ATMLMNA
SCHEMBL22728634 0.71 HTR7 (0.41)
SCHEMBL22015030 0.70 GAA (0.48) GAAL3MBTL1BACE1ATM

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-20210024479-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES FOR THE PRODUCTION OF ALPHA,ALPHA-DISUBSTITUTED BETA-LACTONES CORNELL UNIVERSITY 2021-01-28 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-20210024479-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES FOR THE PRODUCTION OF ALPHA,ALPHA-DISUBSTITUTED BETA-LACTONES DCXR, CBR3, CBR1 GAA 522/4885L3MBTL1 3495/4885BACE1 1787/4885

“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.