SCHEMBL1813865

SCHEMBL1813865

O=C(O)c1cc(Br)[c]cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
PTGS2 P35354 2/20 0.42
ALOX5 P09917 1/20 0.42
MEN1 O00255 2/20 0.39
KDR P35968 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TNF P01375 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSPD1 P10809 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6634767 0.78 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL6631336 0.78 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL5476566 0.72
SCHEMBL28692073 0.71 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL15475186 0.70
SCHEMBL163610 0.69 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL9478732 0.69 AKR1C4 (0.50) CA1CA2CA12CA7CA9
SCHEMBL29592373 0.67 GPR35 (0.49) CA1CA2CA12CA7CA9
SCHEMBL2985505 0.67 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL382803 0.67 GPR35 (0.49) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4282413-A1 COMPOSITION AND METHOD FOR TREATING TUMORS NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-11-29 EP disclosed
CN-116963773-A Compositions and methods for treating tumors 浙江养生堂天然药物研究所有限公司 2023-10-27 CN disclosed
US-11045456-B2 Compositions and methods for treating COPD and other inflammatory conditions GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-06-29 US disclosed
US-20180042904-A1 COMPOSITIONS AND METHODS FOR TREATING COPD AND OTHER INFLAMMATORY CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-15 US disclosed
EP-3270921-A1 COMPOSITIONS AND METHODS FOR TREATING COPD AND OTHER INFLAMMATORY CONDITIONS Georgia State University Research Foundation, Inc. (US) 2018-01-24 EP disclosed
US-9468598-B2 Oral dosage form containing a PDE 4 inhibitor as an active ingredient and polyvinylpyrrolidon as excipient ASTRAZENECA AB (SE) 2016-10-18 US disclosed
WO-2016154143-A1 COMPOSITIONS AND METHODS FOR TREATING COPD AND OTHER INFLAMMATORY CONDITIONS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2016-09-29 WO disclosed
CN-102764242-B Oral dosage form comprising a PDE 4 inhibitor as active ingredient and polyvinylpyrrolidone as excipient 塔科达有限责任公司 2016-09-07 CN disclosed
US-20150290180-A1 Oral Dosage Form Containing A PDE 4 Inhibitor as an Active Ingredient and Polyvinylpyrrolidon as Excipient ASTRAZENECA AB (SE) 2015-10-15 US disclosed
US-20150290178-A1 Oral Dosage Form Containing A PDE 4 Inhibitor as an Active Ingredient and Polyvinylpyrrolidon as Excipient ASTRAZENECA AB (SE) 2015-10-15 US disclosed
WO-1998007715-A9 NOVEL BENZOFURAN-4-CARBOXAMIDES BYK GULDEN LOMBERG CHEM FAB (DE) 1999-04-29 WO disclosed
WO-1998008830-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
WO-1998007715-A1 NOVEL BENZOFURAN-4-CARBOXAMIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-02-26 WO disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 US disclosed
CN-1159804-A Dihydrobenzofuranes BYK GULDEN LOMBERG CHEM FAB (DE) 1997-09-17 CN disclosed
EP-0772610-A1 DIHYDROBENZOFURANES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-05-14 EP disclosed
CN-1126468-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEM FAB (DE) 1996-07-10 CN disclosed
EP-0706513-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1996003399-A1 DIHYDROBENZOFURANES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-02-08 WO disclosed
WO-1995001338-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 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-11045456-B2 Compositions and methods for treating COPD and other inflammatory conditions PDE4B, PDE4A, PDE12 CA1 3153/4885CA2 1107/4885CA12 2368/4885
US-20150290178-A1 Oral Dosage Form Containing A PDE 4 Inhibitor as an Active Ingredient and Polyvinylpyrrolidon as Excipient PDE12, PDE4A, PDE3A CA1 3427/4885CA2 1505/4885CA12 3759/4885
US-20180042904-A1 COMPOSITIONS AND METHODS FOR TREATING COPD AND OTHER INFLAMMATORY CONDITIONS PDE4B, PDE4A, PDE12 CA1 3153/4885CA2 1107/4885CA12 2368/4885
US-20150290180-A1 Oral Dosage Form Containing A PDE 4 Inhibitor as an Active Ingredient and Polyvinylpyrrolidon as Excipient PDE12, PDE4A, PDE3A CA1 3427/4885CA2 1505/4885CA12 3759/4885

“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.