SCHEMBL43535

SCHEMBL43535

OCC(O)COc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
ADRB3 P13945 7/20 0.54
ADRB2 P07550 5/20 0.54
ADRB1 P08588 5/20 0.54
AR P10275 1/20 0.54
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH2 P05091 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
BACE1 P56817 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AGTR1 P30556 1/20 0.46

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
SCHEMBL11247517 1.00 PTGS1 (0.59) PTGS1SLC6A2ADRB3ADRB2ADRB1
SCHEMBL10492919 0.98 PTGS1 (0.57) PTGS1SLC6A2ADRB3ADRB2ADRB1
SCHEMBL27684651 0.94 MAOA (0.54) PTGS1SLC6A2ADRB3ADRB2ADRB1
SCHEMBL15500156 0.94 PTGS1 (0.54) PTGS1SLC6A2ADRB3ADRB2ADRB1
SCHEMBL6228324 0.91 AR (0.61) ARTSHRMAPK1LMNAMAPT
SCHEMBL24369885 0.91 BACE1 (0.59) PTGS1SLC6A2ADRB3ADRB2ADRB1
SCHEMBL26326569 0.91 SLC6A2 (0.51) PTGS1SLC6A2ADRB3ADRB2ADRB1
SCHEMBL10490309 0.89 PTGS1 (0.65) PTGS1SLC6A2ADRB3ADRB2ADRB1
SCHEMBL10492789 0.89 PTGS1 (0.65) PTGS1SLC6A2ADRB3ADRB2ADRB1
SCHEMBL16226561 0.87 AR (0.76) PTGS1SLC6A2ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7300413-A None JP disclosed
US-11530149-B2 Recycling of alkali sulfate rich waste water by biological pre-treatment with an extreme halophilic organism COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-12-20 US disclosed
US-20210053855-A1 RECYCLING OF ALKALI SULFATE RICH WASTE WATER BY BIOLOGICAL PRE-TREATMENT WITH AN EXTREME HALOPHILIC ORGANISM COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-02-25 US disclosed
CN-105153146-A Novel 3-hydroxyisothiazole 1-oxide derivative MOCHIDA PHARM CO LTD 2015-12-16 CN disclosed
CN-103517898-B Novel 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO.,LTD. (JP) 2015-09-30 CN disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
CN-104710381-A Novel 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARM CO LTD 2015-06-17 CN disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-4329289-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-05-11 US disclosed
US-4314085-A Intermediates for preparing adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-02-02 US disclosed
US-4304721-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-12-08 US disclosed
US-4301300-A ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-11-17 US disclosed
US-4285873-A ANTIANDROGENS HOFFMANN-LA ROCHE INC. (US) 1981-08-25 US disclosed
US-4281189-A Sulfonamide intermediates for adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
US-4278608-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-14 US disclosed
US-4247710-A THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE HOFFMANN-LA ROCHE INC. (US) 1981-01-27 US disclosed
US-4202978-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC HOFFMANN-LA ROCHE INC. (US) 1980-05-13 US disclosed
EP-0005142-A1 Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-14 EP 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 PTGS1 2540/4885SLC6A2 3726/4885ADRB3 206/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 PTGS1 2589/4885SLC6A2 3350/4885ADRB3 179/4885

“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.