SCHEMBL23969657

SCHEMBL23969657

CC(C)Cc1ccc(C(C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.53
PTGS1 P23219 4/20 0.51
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
SLC6A2 P23975 1/20 0.51
CXCR1 P25024 3/20 0.50
CXCR2 P25025 3/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
ALB P02768 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX5 P09917 1/20 0.50
RARB P10826 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50

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
SCHEMBL23969551 0.84 LMNA (0.44) PTGS2PTGS1PGRLMNACYP2C9
SCHEMBL30731578 0.84 LMNA (0.44) PTGS2PTGS1PGRLMNACYP2C9
SCHEMBL5540417 0.83 PTGS2 (0.55) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL577384 0.82 PTGS2 (0.63) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL26018580 0.81 PTGS2 (0.53) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL10085431 0.81 PTGS2 (0.53) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL5539028 0.79 PTGS1 (0.55) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL5540399 0.77 PTGS1 (0.53) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL576679 0.77 PTGS2 (0.57) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL576871 0.76 CHRM1 (0.57) PTGS2PTGS1CXCR1CXCR2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799193-B Copper and nickel catalyzed decarboxylation borylation 斯克利普斯研究院 2023-12-12 CN disclosed
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
CN-110799193-A Copper and nickel catalyzed decarboxylation and boriding reactions 斯克利普斯研究院 2020-02-14 CN 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 PTGS2 4140/4885PTGS1 3809/4885PGR 394/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 PTGS2 3958/4885PTGS1 3762/4885PGR 434/4885

“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.