SCHEMBL582045

SCHEMBL582045

O=[C]CCc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.59
ESR2 Q92731 2/20 0.59
CA2 P00918 2/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ADRA2A P08913 3/20 0.50
SLC6A2 P23975 3/20 0.50
HTR1A P08908 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR3A P46098 1/20 0.50
BACE1 P56817 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LTA4H P09960 1/20 0.48
MIF P14174 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL9206133 0.87 GFER (0.36) ESR1ESR2CA2TAAR1KMT2A
SCHEMBL5610502 0.86 ESR1 (0.54) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL6886212 0.85 ESR1 (0.53) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL440374 0.76 TAAR1 (0.50) KDM4EALDH1A1CYP2C19HTR3ATAAR1
SCHEMBL910881 0.76 CA2 (0.47) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL8439000 0.76 HRH3 (0.46) CA2TAAR1ABAT
SCHEMBL980506 0.76 TAAR1 (0.50) TAAR1MIFPTGS1PTGS2
SCHEMBL98012 0.76 TAAR1 (0.50) TAAR1
SCHEMBL450038 0.76 ESR1 (0.59) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL692408 0.76 GFER (0.59) CA2ALDH1A1KMT2ATDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US claimed
CN-113491703-A Application of phenylethanoid glycosides compounds and compositions thereof in preparation of drugs for preventing and treating new coronary pneumonia 中国科学院上海药物研究所 2021-10-12 CN claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US claimed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US claimed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP claimed
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES FUTURECHEM CO., LTD. (KR) 2012-08-23 US claimed
EP-0443559-A2 HIV protease inhibiting agents BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-0411332-A1 Antiviral peptides having a 2-oxoalkyl amino acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 EP claimed
EP-0408973-A1 Antiherpes pentapeptides BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-01-23 EP claimed
US-4686283-A POLYPEPTIDES SYNTEX (U.S.A.) INC. (US) 1987-08-11 US claimed
US-4638046-A Retro-inverso C-terminal hexapeptide analogues of substance P ENI-ENTE NAZIONALE IDROCARBURI (IT) 1987-01-20 US claimed
EP-0161007-A2 Retro - inverso C-Terminal hexapeptide analogues of substance P ENI-Ente Nazionale Idrocarburi (IT) 1985-11-13 EP claimed
EP-0082568-B1 RETRO-INVERSO ANALOGUES OF C-TERMINAL PENTA AND HEXAPEPTIDES OF SUBSTANCE P. ANIC S.p.A. (IT) 1984-11-21 EP claimed
US-4439360-A Retro-inverso analogues of C-terminal penta and hexapeptides of Substance P ANIC S.P.A. (IT) 1984-03-27 US claimed
EP-0082568-A2 Retro-inverso analogues of C-terminal penta and hexapeptides of substance P. ANIC S.p.A. (IT) 1983-06-29 EP claimed
US-4057618-A IMAGING AGENT FOR BODY TISSUES UNIVERSITY PATENTS, INC. (US) 1977-11-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB ESR1 1524/4885ESR2 409/4885CA2 765/4885
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES APP, FABP7, SLC3A2 ESR1 3732/4885ESR2 2958/4885CA2 1695/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 ESR1 3129/4885ESR2 3549/4885CA2 2204/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 ESR1 3129/4885ESR2 3549/4885CA2 2204/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ESR1 2260/4885ESR2 3107/4885CA2 3762/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 ESR1 3378/4885ESR2 2174/4885CA2 3606/4885

“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.