SCHEMBL22015030

SCHEMBL22015030

C[C@@]1(CCc2ccccc2)CC(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BACE1 P56817 3/20 0.44
ATM Q13315 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
PRTN3 P24158 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6810670 0.81 ELANE (0.43) GAAL3MBTL1BACE1ELANECTSG
SCHEMBL18214383 0.78 CYP3A4 (0.50) GAAL3MBTL1BACE1ALDH1A1
SCHEMBL7789538 0.77 GAA (0.47) GAAL3MBTL1BACE1ATMELANE
SCHEMBL22013858 0.77 GAA (0.41) GAAL3MBTL1ATMALDH1A1
SCHEMBL7997821 0.77 GAA (0.41) GAAL3MBTL1ATMALDH1A1
SCHEMBL9876467 0.71 GAA (0.55) GAAL3MBTL1BACE1ATMELANE
SCHEMBL30953593 0.71 MAOB (0.45) ATMALDH1A1
SCHEMBL21961914 0.70 POLB (0.42) GAAL3MBTL1ALDH1A1
SCHEMBL22914872 0.70 GAA (0.43) GAAL3MBTL1BACE1ATM
SCHEMBL19239808 0.70 ELANE (0.40) GAAL3MBTL1BACE1ELANECTSG

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-20210403445-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES CORNELL UNIVERSITY 2021-12-30 US disclosed
WO-2020102816-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES CORNELL UNIVERSITY (US) 2020-05-22 WO 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-20210403445-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES LTC4S, LSS, CYCS GAA 2318/4885L3MBTL1 1369/4885BACE1 4495/4885

“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.