SCHEMBL103577

SCHEMBL103577

CC(=O)c1ccc2ccoc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.59
CYP2A6 P11509 2/20 0.47
CHRNA7 P36544 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CTNNB1 P35222 4/20 0.44
WNT3A P56704 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL28431104 0.85 CTNNB1 (0.59) HTR1BCYP2A6CHRNA7HTR3AHTR3E
SCHEMBL103953 0.85 CTNNB1 (0.59) HTR1BCYP2A6CHRNA7HTR3AHTR3E
SCHEMBL879386 0.82 HTR1B (0.57) HTR1BCYP2A6CHRNA7HTR3AHTR3E
SCHEMBL31438451 0.82 HTR1B (0.57) HTR1BCYP2A6CHRNA7HTR3AHTR3E
SCHEMBL24111861 0.82 HTR1B (0.54) HTR1BCYP2A6CHRNA7HTR3AHTR3E
Hydrochloric Acid SCHEMBL6627889 0.81 HTR1B (0.55) HTR1BCYP2A6CHRNA7HTR3AHTR3E
SCHEMBL20618503 0.81 HTR1B (0.55) HTR1BCYP2A6CHRNA7HTR3AHTR3E
SCHEMBL3793059 0.81 HTR1B (0.55) HTR1BCYP2A6CHRNA7HTR3AHTR3E
SCHEMBL20617027 0.81 HTR1B (0.55) HTR1BCYP2A6CHRNA7HTR3AHTR3E
SCHEMBL20711023 0.80 HTR1B (0.63) HTR1BCHRNA7HTR3AHTR3EHTR3B

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2025124698-A1 ARYL SULFONE AND SULFANONE DERIVATIVES AS OREXIN RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-19 WO disclosed
CN-118955549-A Method for dehydrogenating and coupling silicon and aromatic heterocyclic compound and application thereof 中山大学 2024-11-15 CN disclosed
CN-111356687-B Pyrimidine-containing tri-substituted imidazole compound and application thereof 广州必贝特医药技术有限公司 2021-03-30 CN disclosed
WO-2020212755-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2020-10-22 WO disclosed
WO-2020192302-A1 PYRIMIDINE-CONTAINING TRI-SUBSTITUTED IMIDAZOLE COMPOUND AND APPLICATION THEREOF 广州必贝特医药技术有限公司 2020-10-01 WO disclosed
CN-111356687-A Pyrimidine-containing tri-substituted imidazole compound and application thereof 广州必贝特医药技术有限公司 2020-06-30 CN disclosed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-8080562-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2011-12-20 US disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (2 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 HTR1B 2052/4885CYP2A6 1960/4885CHRNA7 732/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR HTR1B 2638/4885CYP2A6 3465/4885CHRNA7 927/4885

“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.