SCHEMBL663873

SCHEMBL663873

O=C(O)c1ccc2occc2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.63
WNT3A P56704 8/20 0.63
HTR1B P28222 1/20 0.57
MRGPRX4 Q96LA9 1/20 0.55
IDO1 P14902 2/20 0.50
KMO O15229 1/20 0.50
CHRNA7 P36544 3/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
NAMPT P43490 1/20 0.49
CYP2A6 P11509 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47

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
SCHEMBL29987426 1.00 CTNNB1 (0.63) CTNNB1WNT3AHTR1BMRGPRX4IDO1
SCHEMBL11243027 0.85 CTNNB1 (0.59) CTNNB1WNT3AHTR1BMRGPRX4IDO1
SCHEMBL28200508 0.84 CTNNB1 (0.55) CTNNB1WNT3AHTR1BMRGPRX4IDO1
SCHEMBL31438451 0.84 HTR1B (0.57) CTNNB1WNT3AHTR1BMRGPRX4CHRNA7
SCHEMBL879386 0.84 HTR1B (0.57) CTNNB1WNT3AHTR1BMRGPRX4CHRNA7
SCHEMBL4318315 0.84 CTNNB1 (0.58) CTNNB1WNT3AHTR1BIDO1CHRNA7
SCHEMBL1919332 0.83 MRGPRX4 (0.58) CTNNB1WNT3AMRGPRX4KMO
SCHEMBL103953 0.82 CTNNB1 (0.59) CTNNB1WNT3AHTR1BIDO1CHRNA7
Hydrochloric Acid SCHEMBL6627889 0.82 HTR1B (0.55) CTNNB1WNT3AHTR1BMRGPRX4CHRNA7
SCHEMBL28431104 0.82 CTNNB1 (0.59) CTNNB1WNT3AHTR1BIDO1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707872-A Method for amidation of carboxylic acid and continuous flow photochemistry device 国网安徽省电力有限公司电力科学研究院 2025-03-28 CN claimed
CN-119504653-A Carboxylic acid amidation method 国网安徽省电力有限公司电力科学研究院 2025-02-25 CN claimed
CN-119504652-A Method for amidating carboxylic acid and gas-liquid mixed flow photochemical device 国网安徽省电力有限公司电力科学研究院 2025-02-25 CN 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 claimed
CN-119504431-A Method for esterification of carboxylic acid and continuous flow photochemistry device 国网安徽省电力有限公司电力科学研究院 2025-02-25 CN claimed
CN-119504430-A Carboxylic acid esterification method and gas-liquid mixed flow photochemical device 国网安徽省电力有限公司电力科学研究院 2025-02-25 CN claimed
CN-118955549-A Method for dehydrogenating and coupling silicon and aromatic heterocyclic compound and application thereof 中山大学 2024-11-15 CN claimed
EP-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP claimed
CN-116429936-A Method for detecting benzofuran-5-carboxylic acid in benzofuran-6-carboxylic acid 四川美域高生物医药科技有限公司 2023-07-14 CN claimed
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists NOVARTIS AG (CH) 2014-03-27 US claimed
JP-2011529944-A 2011-12-15 JP claimed
CN-102143940-A Cyclohexyl amide derivatives as CRF-1 receptor antagonists and uses thereof NOVARTIS AG 2011-08-03 CN claimed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP claimed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US claimed
WO-2010015655-A1 CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO claimed
US-20100035898-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US claimed
CN-101522661-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-09-02 CN claimed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO 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 (3 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-20100035898-A1 Organic compounds CRH, CRHR1, CRHR2 CTNNB1 3471/4885WNT3A 3412/4885HTR1B 47/4885
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD CTNNB1 4687/4885WNT3A 4038/4885HTR1B 2028/4885
US-20140088105-A1 Cyclohexyl Amide Derivatives and Their Use as CRF-1 Receptor Antagonists CRHR1, CRH, CRHR2 CTNNB1 3980/4885WNT3A 3624/4885HTR1B 105/4885

“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.