SCHEMBL296543

SCHEMBL296543

CC(C)OC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 1.00
CD274 Q9NZQ7 1/20 1.00
CA12 O43570 2/20 0.63
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA7 P43166 2/20 0.63
CA9 Q16790 2/20 0.63
CA14 Q9ULX7 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
HTT P42858 2/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ESR1 P03372 1/20 0.51

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
SCHEMBL25954216 0.92 PDCD1 (0.85) PDCD1CD274CA12CA1CA2
Benzoic Acid 1-Methylethyl Ester SCHEMBL27592410 0.88 PDCD1 (0.78) PDCD1CD274CA12CA1CA2
Benzoic Acid 1-Methylethyl Ester SCHEMBL96918 0.88 PDCD1 (0.78) PDCD1CD274CA12CA1CA2
Benzoic Acid 1-Methylethyl Ester SCHEMBL29019189 0.86 PDCD1 (0.75) PDCD1CD274CA12CA1CA2
Benzoic Acid 1-Methylethyl Ester SCHEMBL28432759 0.86 PDCD1 (0.75) PDCD1CD274CA12CA1CA2
Benzoic Acid 1-Methylethyl Ester SCHEMBL8381956 0.86 PDCD1 (0.75) PDCD1CD274CA12CA1CA2
Benzoic Acid 1-Methylethyl Ester SCHEMBL9343935 0.86 PDCD1 (0.75) PDCD1CD274CA12CA1CA2
Benzoic Acid 1-Methylethyl Ester SCHEMBL31017505 0.86 PDCD1 (0.75) PDCD1CD274CA12CA1CA2
SCHEMBL701832 0.85 CA12 (0.83) PDCD1CD274CA12CA1CA2
Benzoic Acid 1-Methylethyl Ester SCHEMBL28356777 0.85 PDCD1 (0.74) PDCD1CD274CA12CA1CA2

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 379 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
US-10954267-B2 Dipeptide comprising a non-proteogenic amino acid NOVO NORDISK A/S (DK) 2021-03-23 US claimed
US-20190002496-A1 Dipeptide Comprising a Non-Proteogenic Amino Acid NOVO NORDISK AS (DK) 2019-01-03 US claimed
EP-2914256-A1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF Aileron Therapeutics, Inc. (US) 2015-09-09 EP claimed
US-20140364587-A1 Dipeptide Comprising a Non-Proteogenic Amino Acid NOVO NORDISK A/S (DK) 2014-12-11 US claimed
US-20140128581-A1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF AILERON THERAPEUTICS, INC. (US) 2014-05-08 US claimed
WO-2014071241-A1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF AILERON THERAPEUTICS, INC. (US) 2014-05-08 WO claimed
US-6770436-B1 RADIATION-ACTIVATED CATALYSTS (RACS), AUTOCATALYTIC REACTIONS, AND PROTECTIVE GROUPS ARE EMPLOYED TO ACHIEVE A HIGHLY SENSITIVE, HIGH RESOLUTION, RADIATION DIRECTED COMBINATORIAL SYNTHESIS OF PATTERN ARRAYS OF DIVERSE POLYMERS AFFYMETRIX, INC. 2004-08-03 US claimed
US-6083697-A Chemical amplification for the synthesis of patterned arrays AFFYMETRIX, INC. (US) 2000-07-04 US claimed
US-4855486-A Blocked, marked amino acids KALBAG SURESH M (US) 1989-08-08 US claimed
EP-0292228-A2 Protecting groups for asparagine and glutamine in peptide synthesis MILLIPORE CORPORATION (US) 1988-11-23 EP claimed
US-4755558-A Using internal marker BECKMAN INSTRUMENTS, INC. (US) 1988-07-05 US claimed
CN-119504433-A Carboxylic acid esterification method 国网安徽省电力有限公司电力科学研究院 2025-02-25 CN disclosed
CN-118324762-A Compounds and compositions for treating CNS disorders 布鲁奥科制药有限公司 2024-07-12 CN disclosed
US-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 US disclosed
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO disclosed
EP-0001295-A2 Somatostatin-like cyclopeptides, a process for their preparation, pharmaceutical compositions containing them, and their therapeutical application CIBA-GEIGY AG (CH) 1979-04-04 EP disclosed
US-4066635-A ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1978-01-03 US disclosed
US-3963691-A POLYPEPTIDES, PEPTIZATION MERCK & CO., INC. (US) 1976-06-15 US disclosed
US-3862113-A PROCESS FOR THE SELECTIVE ELIMINATION OF ARALKYLOXYCARBONYL AND TRITYL N-PROTECTING GROUPS WITH 2,2,2-TRIFLUOROETHANOL CIBA GEIGY CORP 1975-01-21 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 (5 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS PDCD1 3590/4885CD274 4721/4885CA12 1550/4885
US-20140364587-A1 Dipeptide Comprising a Non-Proteogenic Amino Acid DNPEP, ANPEP, NPEPPS PDCD1 2421/4885CD274 4473/4885CA12 1779/4885
US-10954267-B2 Dipeptide comprising a non-proteogenic amino acid DNPEP, ANPEP, NPEPPS PDCD1 2421/4885CD274 4473/4885CA12 1779/4885
US-20140128581-A1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF ASNS, BCAT1, BCAT2 PDCD1 1615/4885CD274 3299/4885CA12 663/4885
US-20190002496-A1 Dipeptide Comprising a Non-Proteogenic Amino Acid DNPEP, ANPEP, NPEPPS PDCD1 2421/4885CD274 4473/4885CA12 1779/4885

“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.