SCHEMBL8729417

SCHEMBL8729417

COc1cccc2c1C=CCC2

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.45
BCHE P06276 10/20 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
SCHEMBL1616392 0.81 ACHE (0.47) ACHEBCHE
SCHEMBL30584471 0.81 CA12 (0.41) ACHEBCHE
SCHEMBL7333093 0.81 CA12 (0.41) ACHEBCHE
SCHEMBL24713686 0.77
SCHEMBL30186190 0.76 ALDH1A1 (0.32)
SCHEMBL9813616 0.75 LMNA (0.48) ACHEBCHE
SCHEMBL19390301 0.75 ACHE (0.33) ACHE
SCHEMBL2240708 0.74 ACHE (0.45) ACHEBCHE
SCHEMBL28261346 0.74 ALDH1A1 (0.47)
SCHEMBL23730279 0.74 KDM4E (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-05-31 US disclosed
US-20200369620-A1 CHIRAL 1,3-DIARYLIMIDAZOLIUM SALT CARBENE PRECURSOR, SYNTHESIS METHOD THEREFOR, METAL SALT COMPOUND AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-26 US disclosed
WO-2010150913-A1 INK FOR INKJET RECORDING, INKJET RECORDING METHOD USING THE SAME, INK CARTRIDGE HOUSING THE SAME, AND RECORDED MATTER RICOH COMPANY, LTD. (JP) 2010-12-29 WO disclosed
WO-2009109992-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE AND INTERMEDIATES FOR USE THEREIN ARCH PHARMALABS LIMITED (IN) 2009-09-11 WO disclosed
EP-0835107-A1 THE USE OF ALPHA-1C-SELECTIVE ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-04-15 EP disclosed
US-5610174-A Use of α1A -selective adrenoceptor agonists for the treatment of urinary incontinence SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-03-11 US disclosed
WO-1996038143-A1 THE USE OF ALPHA-1C-SELECTIVE ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-12-05 WO disclosed
EP-0150192-B1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-20 EP disclosed
US-4745110-A ANTIULCER AGENTS, ANTISECRETORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-05-17 US disclosed
US-4692445-A ANTISECRETORY, ANTIULCEROGENIC AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1987-09-08 US disclosed
US-4647559-A ANTISECRETORY AND ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1987-03-03 US disclosed
US-4638001-A ANTISECRETORY, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1987-01-20 US disclosed
US-4588719-A ANTISCERETORY AGENTS, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1986-05-13 US disclosed
EP-0150192-A4 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INTERNAT OVERSEAS INC (US) 1985-09-16 EP disclosed
EP-0150192-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INT OVERSEAS (US) 1985-08-07 EP disclosed
US-4529723-A Gastrointestinal disorders; antiulcer agents WILLIAM H. RORER, INC. (US) 1985-07-16 US disclosed
WO-1984004247-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INT OVERSEAS (US) 1984-11-08 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 (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-20200369620-A1 CHIRAL 1,3-DIARYLIMIDAZOLIUM SALT CARBENE PRECURSOR, SYNTHESIS METHOD THEREFOR, METAL SALT COMPOUND AND APPLICATION THEREOF CYP51A1, SLC39A11, ZC3HAV1L ACHE 3609/4885BCHE 1020/4885
US-11345665-B2 Chiral 1,3-diarylimidazolium salt carbene precursor, synthesis method therefor, metal salt compound and application thereof CYP51A1, SLC39A11, ZC3HAV1L ACHE 3609/4885BCHE 1020/4885

“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.