SCHEMBL23969660

SCHEMBL23969660

CC(C)[C@H](C)C(=O)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
SCHEMBL29439746 0.86 LMNA (0.45) ALDH1A1LMNACYP1A2CYP2C9PLA2G1B
SCHEMBL3676819 0.86 LMNA (0.45) ALDH1A1LMNACYP1A2CYP2C9PLA2G1B
SCHEMBL23534358 0.81 ALDH1A1 (0.44) ALDH1A1LMNACYP1A2CYP2C9PLA2G1B
SCHEMBL27695116 0.80 ALDH1A1 (0.45) ALDH1A1LMNACYP1A2CYP2C9MAPT
SCHEMBL30731578 0.80 LMNA (0.44) ALDH1A1LMNACYP1A2CYP2C9PLA2G1B
SCHEMBL23969551 0.80 LMNA (0.44) ALDH1A1LMNACYP1A2CYP2C9PLA2G1B
SCHEMBL13706557 0.80 ALDH1A1 (0.44) ALDH1A1LMNACYP1A2CYP2C9PLA2G1B
SCHEMBL31463754 0.79 LMNA (0.40) ALDH1A1LMNACYP1A2CYP2C9PLA2G1B
SCHEMBL31054705 0.79 LMNA (0.40) ALDH1A1LMNACYP1A2CYP2C9PLA2G1B
SCHEMBL18526265 0.79 ELANE (0.47) ALDH1A1LMNACYP1A2CYP2C9PLA2G1B

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-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2022-01-27 US disclosed
US-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-02 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 (2 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-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions PCSK9, LIPA, ACSL3 ALDH1A1 3656/4885LMNA 1581/4885CYP1A2 3236/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 ALDH1A1 3619/4885LMNA 2126/4885CYP1A2 2921/4885

“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.