SCHEMBL2037583

SCHEMBL2037583

Oc1ccc(Cc2cc[c]cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.70
ESR2 Q92731 3/20 0.70
KEAP1 Q14145 1/20 0.45
ABAT P80404 1/20 0.44
CA2 P00918 3/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
BACE1 P56817 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BLM P54132 2/20 0.40

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
SCHEMBL1176609 0.87 ALDH1A1 (0.45) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL4405623 0.85 ESR1 (0.70) ESR1ESR2ABATCA2TMEM97
SCHEMBL320687 0.84 CALM1 (0.44) ESR1ESR2ALDH1A1ADRA2AKMT2A
SCHEMBL36454 0.84 ESR1 (1.00) ESR1ESR2KEAP1ABATCA2
SCHEMBL2969737 0.84 ESR1 (1.00) ESR1ESR2KEAP1ABATCA2
SCHEMBL27483116 0.83 ESR1 (0.67) ESR1ESR2ABATCA2TMEM97
SCHEMBL9061039 0.81 ESR1 (0.56) ESR1ESR2CA2TMEM97SIGMAR1
SCHEMBL8791387 0.78 CA1 (0.71) ESR1ESR2CA2KDM4EALDH1A1
SCHEMBL7911223 0.76 ESR1 (0.56) ESR1ESR2KEAP1ABATCA2
SCHEMBL28775338 0.76 ENPP2 (0.50) CA2KDM4EALDH1A1TAAR1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820087-A Preparation method of bisphenol A diglycerol ether compound 中国石油化工股份有限公司 2024-04-05 CN claimed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 EP claimed
CN-117820087-A Preparation method of bisphenol A diglycerol ether compound 中国石油化工股份有限公司 2024-04-05 CN disclosed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2021-07-27 US disclosed
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2020-11-05 US disclosed
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 US disclosed
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EPICS THERAPEUTICS (BE) 2020-05-14 US disclosed
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-03-03 US disclosed
EP-3610872-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2020-02-19 EP disclosed
US-20190300478-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2019-10-03 US disclosed
US-5744471-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1998-04-28 US disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
EP-0790996-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-27 EP disclosed
CN-1150589-A New sulfuric acid esters of sugar alcohols HOFFMANN LA ROCHE (CH) 1997-05-28 CN disclosed
EP-0745074-A1 4-AMINO DERIVATIVES OF MYCOPHENOLIC ACID WITH IMMUNOSUPPRESSANT ACTIVITY SYNTEX (U.S.A.) INC. (US) 1996-12-04 EP disclosed
EP-0724583-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO disclosed
WO-1996015127-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed
WO-1995011244-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1995-04-27 WO 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 (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-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 ESR1 819/4885ESR2 467/4885KEAP1 2825/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 ESR1 819/4885ESR2 467/4885KEAP1 2825/4885
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 ESR1 795/4885ESR2 660/4885KEAP1 2803/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 ESR1 819/4885ESR2 467/4885KEAP1 2825/4885
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 ESR1 698/4885ESR2 540/4885KEAP1 2758/4885
US-20190300478-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 ESR1 801/4885ESR2 471/4885KEAP1 2879/4885

“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.