SCHEMBL5962327

SCHEMBL5962327

CC(C)(C)Cc1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ALOX5 P09917 1/20 0.37
HPGD P15428 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CETP P11597 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL20782332 0.77 ESR1 (0.45) ESR1THRATHRBALDH1A1
SCHEMBL21334880 0.76 ALOX5 (0.32) ALOX5
SCHEMBL6436472 0.76 ALOX5 (0.42) ALOX5CETPKDM4EALDH1A1POLB
SCHEMBL19651767 0.74
SCHEMBL6438428 0.73 ALOX5 (0.37) ALOX5CETP
SCHEMBL20233502 0.73 CETP (0.39) ALOX5CETPKDM4EPOLBSLC1A3
SCHEMBL152864 0.72
SCHEMBL10355995 0.71
SCHEMBL13949570 0.71 HPGD (0.41) ALOX5HPGDALDH1A1
SCHEMBL19240323 0.71 CETP (0.41) ALOX5HPGDCETPSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-11679093-B2 2-naphthimidamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-06-20 US disclosed
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
US-11618757-B2 Polycyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2023-04-04 US disclosed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-11524955-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-12-13 US disclosed
US-20220213126-A1 SMALL MOLECULE AUTOPHAGY INDUCERS FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES JOHN WAYNE CANCER INSTITUTE (US) 2022-07-07 US disclosed
US-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds PHENEX PHARMACEUTICALS AG (DE) 2021-04-20 US disclosed
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG 2008-01-24 US disclosed
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG 2008-01-24 US disclosed
US-7312231-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG (CH) 2007-12-25 US disclosed
US-20070287745-A1 Laulimalide Analogs and Uses Thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-13 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-7208501-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-24 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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 (14 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 ESR1 4482/4885ALOX5 3949/4885HPGD 2680/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 ESR1 1581/4885ALOX5 1126/4885HPGD 3112/4885
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 ESR1 3053/4885ALOX5 4628/4885HPGD 4155/4885
US-11524955-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds IRAK4, IRAK1, IRAK3 ESR1 4520/4885ALOX5 4001/4885HPGD 1778/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 ESR1 1830/4885ALOX5 2065/4885HPGD 3063/4885
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 ESR1 4753/4885ALOX5 2327/4885HPGD 82/4885
US-20220213126-A1 SMALL MOLECULE AUTOPHAGY INDUCERS FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES TFEB, SQSTM1, BECN1 ESR1 3692/4885ALOX5 3840/4885HPGD 2402/4885
US-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds AHR, ARNT, NR1H2 ESR1 270/4885ALOX5 512/4885HPGD 253/4885
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 ESR1 2025/4885ALOX5 1815/4885HPGD 4632/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 ESR1 2541/4885ALOX5 3963/4885HPGD 1507/4885
US-20070287745-A1 Laulimalide Analogs and Uses Thereof LPXN, MLX, ZYX ESR1 4319/4885ALOX5 1021/4885HPGD 1746/4885
US-11618757-B2 Polycyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 ESR1 35/4885ALOX5 1317/4885HPGD 3334/4885
US-11679093-B2 2-naphthimidamides, analogues thereof, and methods of treatment using same TMPRSS2, TMPRSS4, TMPRSS15 ESR1 2813/4885ALOX5 4368/4885HPGD 1396/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 ESR1 1251/4885ALOX5 3595/4885HPGD 725/4885

“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.