SCHEMBL1649474

SCHEMBL1649474

CC(C)Cc1ccc([C@@H](C)C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.53
PTGS2 P35354 4/20 0.53
CXCR1 P25024 3/20 0.53
CXCR2 P25025 3/20 0.53
ALOX5 P09917 3/20 0.53
LMNA P02545 2/20 0.53
CYP2C9 P11712 2/20 0.53
AKR1C3 P42330 2/20 0.53
ALB P02768 1/20 0.53
ESR1 P03372 1/20 0.53
RARB P10826 1/20 0.53
ADRB3 P13945 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR2A P28223 1/20 0.53
NR1I3 Q14994 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
CXCL8 P10145 1/20 0.53
TSHR P16473 1/20 0.53
AKR1C2 P52895 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL1178318 1.00 PTGS1 (0.53) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL2919840 1.00 PTGS1 (0.53) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL11629789 0.82 PTGS2 (0.41) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL3470312 0.82 PTGS1 (0.39) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL21628043 0.82 TYR (0.46) PTGS2ESR1TSHR
SCHEMBL2701185 0.81 TSHR (0.47) LMNAAKR1C3TSHRAKR1C2
SCHEMBL6565181 0.80 PTGS1 (0.50) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL11630783 0.80 ESR1 (0.45) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL10933233 0.80 TSHR (0.41) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL5987622 0.79 FAAH (0.37) PTGS1PTGS2CXCR1CXCR2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766658-B1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEM PLASTIC (US) 2002-04-10 EP claimed
EP-0766658-A1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-09 EP claimed
WO-1996000200-A1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-01-04 WO claimed
US-5430194-A Maintaining solution at temperature above eutectic temperature of mixture such that solubility limit of first aldehyde is exceeded to form crystalline first aldehyde containing less of second aldehyde UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1995-07-04 US claimed
US-11684652-B2 HMGB1 antagonist treatment of acute lung injury THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-06-27 US disclosed
US-11684652-B2 HMGB1 antagonist treatment of acute lung injury THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-06-27 US disclosed
US-20230149505-A1 HMGB1 ANTAGONIST TREATMENT OF SEVERE SEPSIS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-05-18 US disclosed
US-20230149505-A1 HMGB1 ANTAGONIST TREATMENT OF SEVERE SEPSIS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-05-18 US disclosed
US-11524048-B2 HMGB1 antagonist treatment of severe sepsis THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2022-12-13 US disclosed
US-20210000908-A1 HMGB1 ANTAGONIST TREATMENT OF SEVERE SEPSIS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2021-01-07 US disclosed
US-20200354418-A1 HMGB1 ANTAGONIST TREATMENT OF ACUTE LUNG INJURY THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
US-20200352887-A1 HMGB1 ANTAGONIST THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
US-7462731-B2 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2008-12-09 US disclosed
US-20050272940-A1 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein AVECIA LIMITED (GB) 2005-12-08 US disclosed
EP-1542985-A2 PROCESSES FOR THE PREPARATION OF HETEROCYCLIC HYDROXYAMINES AND INTERMEDIATES AND CATALYSTS FOR USE THEREIN Avecia Limited (GB) 2005-06-22 EP disclosed
WO-2004024708-A2 PROCESSES FOR THE PREPARATION OF HETEROCYCLIC HYDROXYAMINES AND INTERMEDIATES AND CATALYSTS FOR USE THEREIN AVECIA LIMITED (GB) 2004-03-25 WO disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0254354-B1 PHARMACEUTICALLY USEFUL DERIVATIVES OF THIAZOLIDINE-4-CARBOXYLIC ACID ZAMBON S.p.A. (IT) 1993-03-31 EP disclosed
US-4840936-A ANTIFLAMMATORY, ANALGESIC AGENT TO PREVENT ARRHYTHMIAS ZAMBON S.P.A. (IT) 1989-06-20 US disclosed
EP-0254354-A1 Pharmaceutically useful derivatives of thiazolidine-4-carboxylic acid ZAMBON S.p.A. (IT) 1988-01-27 EP 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 (7 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-20230149505-A1 HMGB1 ANTAGONIST TREATMENT OF SEVERE SEPSIS HMGB1, HMGB3, HMGB2 PTGS1 152/4885PTGS2 312/4885CXCR1 217/4885
US-20050272940-A1 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein OXGR1, HRH3, HRH4 PTGS1 2013/4885PTGS2 2193/4885CXCR1 170/4885
US-11524048-B2 HMGB1 antagonist treatment of severe sepsis HMGB1, HMGB3, HMGB2 PTGS1 152/4885PTGS2 312/4885CXCR1 217/4885
US-11684652-B2 HMGB1 antagonist treatment of acute lung injury HMGB1, HMGB3, HMGB2 PTGS1 229/4885PTGS2 528/4885CXCR1 134/4885
US-20200352887-A1 HMGB1 ANTAGONIST HMGB1, HMGB3, HMGB2 PTGS1 852/4885PTGS2 1650/4885CXCR1 92/4885
US-20210000908-A1 HMGB1 ANTAGONIST TREATMENT OF SEVERE SEPSIS HMGB1, HMGB3, HMGB2 PTGS1 152/4885PTGS2 312/4885CXCR1 217/4885
US-20200354418-A1 HMGB1 ANTAGONIST TREATMENT OF ACUTE LUNG INJURY HMGB1, HMGB3, HMGB2 PTGS1 229/4885PTGS2 528/4885CXCR1 134/4885

“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.