SCHEMBL3338829

SCHEMBL3338829

COC1CCc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
HTR1A P08908 4/20 0.39
SIGMAR1 Q99720 4/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR1D P28221 2/20 0.37
SSTR4 P31391 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL27479914 1.00 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL29715788 1.00 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL27835408 0.82 CA2 (0.42) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL31161149 0.82 CA2 (0.43) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL9374719 0.81 SIGMAR1 (0.44) SIGMAR1ADRA2ACHRM2CHRM4CHRM5
SCHEMBL1820344 0.81 CA2 (0.41) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL13528608 0.81 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL6493103 0.78 GABRA1 (0.47) CA2SSTR4CHRM4
SCHEMBL9290880 0.77 SSTR4 (0.45) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL6747489 0.77 CA2 (0.44) CA2HTR1ASIGMAR1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240167066-A1 METHOD FOR PRODUCING DEMETHYLATED COMPOUND DAICEL CORPORATION (JP) 2024-05-23 US disclosed
WO-2022202961-A1 METHOD FOR PRODUCING DEMETHYLATED COMPOUND 株式会社ダイセル 2022-09-29 WO disclosed
EP-3353147-B1 SYNTHESIS OF TERPHENYL COMPOUNDS VECTUS BIOSYSTEMS LTD (AU) 2021-01-13 EP disclosed
CN-112041296-A Aminoacetamides containing benzo-oxy-alicyclic structure and use thereof 上海璃道医药科技有限公司 2020-12-04 CN disclosed
US-9561272-B2 Compositions and methods for modulating immune responses THE UNIVERSITY OF QUEENSLAND (AU) 2017-02-07 US disclosed
CN-102186835-B Process for preparing nebivolol ZACH SYSTEM S.P.A. (IT) 2016-01-13 CN disclosed
CN-102471325-B Process for preparing nebivolol ZACH SYSTEM S.P.A. (IT) 2015-09-09 CN disclosed
US-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-06 US disclosed
US-20150202285-A1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNE RESPONSES THE UNIVERSITY OF QUEENSLAND (AU) 2015-07-23 US disclosed
US-9017697-B2 Compositions and methods for modulating immune responses THE UNIVERSITY OF QUEENSLAND (AU) 2015-04-28 US disclosed
EP-0579412-B1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists LILLY CO ELI (US) 1998-10-07 EP disclosed
US-5352690-A For asthma, allergies ELI LILLY AND COMPANY (US) 1994-10-04 US disclosed
EP-0579412-A1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists ELI LILLY AND COMPANY (US) 1994-01-19 EP disclosed
CN-1019393-B Substituted N-[(4-piperidingl] alkyl] bicyclic condensed oxazol and thiazolaminer JANSSEN PHARMACEUTICA NV (BE) 1992-12-09 CN disclosed
US-4824971-A 2-allylchromans HOFFMAN-LA ROCHE INC. (US) 1989-04-25 US disclosed
EP-0235510-B1 3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN DERIVATIVES AND PROCESSES FOR THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-03-08 EP disclosed
US-4806661-A Chromanemelonate esters HOFFMANN-LA ROCHE INC. (US) 1989-02-21 US disclosed
US-4752646-A 2-halochromans HOFFMANN-LA ROCHE INC. (US) 1988-06-21 US disclosed
EP-0235510-A2 3,4-Dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran derivatives and processes for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 EP disclosed
CN-86102349-A Preparation N-[(4-piperidyl) alkyl] the bicyclic condensed  azoles that replaces and the method for thiazole amine 1986-11-19 CN 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 (1 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-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR HLA-DRB1, CD74, CHI3L1 CA2 2982/4885HTR1A 4558/4885SIGMAR1 4818/4885

“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.