SCHEMBL5084709

SCHEMBL5084709

COc1ccccc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
PDE4A P27815 12/20 0.54
ALDH1A1 P00352 1/20 0.51
PDE4B Q07343 9/20 0.51
PDE4C Q08493 8/20 0.51
PDE4D Q08499 8/20 0.51
POLB P06746 1/20 0.48

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
SCHEMBL24806043 0.98 PDE4A (0.53) CA12CA1CA2CA4CA7
SCHEMBL29340231 0.96 CA12 (0.54) CA12CA1CA2CA4CA7
SCHEMBL16946799 0.91 CA1 (0.59) CA12CA1CA2CA4CA7
Ammonia Solution, Strong SCHEMBL7413397 0.89 CA12 (0.56) CA12CA1CA2CA4CA7
SCHEMBL5344402 0.89 MCHR1 (0.49) PDE4APDE4BPDE4CPDE4D
Methylamine SCHEMBL7433365 0.88 CA12 (0.54) CA12CA1CA2CA4CA7
SCHEMBL2242864 0.87 MCHR1 (0.51) PDE4APDE4BPDE4CPDE4D
Formic Acid SCHEMBL28316720 0.86 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL1780546 0.82 HRH1 (0.62) CA12CA1CA2CA4CA7
SCHEMBL2093016 0.82 CA12 (0.48) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3806441-B2 2006-08-09 JP claimed
EP-0618889-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-10-12 EP claimed
WO-1994010118-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-05-11 WO claimed
US-11572347-B2 Orally available sEH/PDE4 dual inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-07 US disclosed
CN-115197191-A Novel traditional Chinese medicine flavone derivative and preparation method and application thereof 中国海洋大学 2022-10-18 CN disclosed
CN-106390128-B Use of beta-adrenergic inverse agonists for smoking cessation 伊沃恩有限公司 2022-07-08 CN disclosed
US-20210395202-A1 ORALLY AVAILABLE SEH/PDE4 DUAL INHIBITORS GOETHE-UNIVERSITY FRANKFURT (DE) 2021-12-23 US disclosed
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
WO-2019147824-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A PDE4 INHIBITOR PROGENITY, INC. (US) 2019-08-01 WO disclosed
WO-2019079609-A1 ORALLY AVAILABLE SEH/PDE4 DUAL INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-25 WO disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
EP-1244619-A1 PYRROLIDINES WHICH INHIBIT CAMP-SPECIFIC PDE ICOS CORPORATION (US) 2002-10-02 EP disclosed
WO-2001047879-A1 PYRROLIDINES WHICH INHIBIT CAMP-SPECIFIC PDE ICOS CORPORATION (US) 2001-07-05 WO disclosed
EP-0799187-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-CARBOXYLATE DIMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-03-25 EP disclosed
EP-0799187-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-CARBOXYLATE DIMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
EP-0787132-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES AND THEIR USE AS MEDICAMENTS PFIZER INC. (US) 1997-08-06 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996020163-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-CARBOXYLATE DIMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO disclosed
WO-1996012720-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES AND THEIR USE AS MEDICAMENTS PFIZER INC. (US) 1996-05-02 WO disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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 (4 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-11572347-B2 Orally available sEH/PDE4 dual inhibitors EPHX1, PDE4A, EPHX2 CA12 2764/4885CA1 2245/4885CA2 1898/4885
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 CA12 4751/4885CA1 2694/4885CA2 3702/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 CA12 4751/4885CA1 2694/4885CA2 3702/4885
US-20210395202-A1 ORALLY AVAILABLE SEH/PDE4 DUAL INHIBITORS EPHX1, PDE4A, EPHX2 CA12 2764/4885CA1 2245/4885CA2 1898/4885

“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.