SCHEMBL2943055

SCHEMBL2943055

C#CC(=O)OCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
EPHX1 P07099 1/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.46
HCAR2 Q8TDS4 2/20 0.46
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.43
FAAH O00519 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL2947567 0.98 NAAA (0.55) NAAAEPHX1CA12CA1CA2
SCHEMBL31339496 0.98 NAAA (0.55) NAAAEPHX1CA12CA1CA2
SCHEMBL11540697 0.98 NAAA (0.55) NAAAEPHX1CA12CA1CA2
SCHEMBL15344619 0.98 NAAA (0.55) NAAAEPHX1CA12CA1CA2
SCHEMBL2943009 0.98 NAAA (0.55) NAAAEPHX1CA12CA1CA2
SCHEMBL7796126 0.98 NAAA (0.55) NAAAEPHX1CA12CA1CA2
SCHEMBL2946164 0.98 NAAA (0.55) NAAAEPHX1CA12CA1CA2
SCHEMBL10820639 0.98 NAAA (0.55) NAAAEPHX1CA12CA1CA2
SCHEMBL1080854 0.98 NAAA (0.55) NAAAEPHX1CA12CA1CA2
SCHEMBL11883243 0.98 NAAA (0.55) NAAAEPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586406-B Preparation method of 3-sulfonyl coumarin compound 曲阜师范大学 2022-03-15 CN claimed
CN-108586406-B Preparation method of 3-sulfonyl coumarin compound 曲阜师范大学 2022-03-15 CN disclosed
CN-112321553-A Method for synthesizing 3-position difluoromethyl substituted coumarin derivative from aryl alkyne acid ester 天津科技大学 2021-02-05 CN disclosed
US-20190192524-A1 Modulators of Caspase-6 UNIVERSITY OF HAMBURG (DE) 2019-06-27 US disclosed
EP-3129027-A1 MODULATORS OF CASPASE-6 University of British Columbia (CA) 2017-02-15 EP disclosed
CN-103833554-B Method for preparing (2E, 2' E) -acrylate ether compound 南京工业大学 2016-09-14 CN disclosed
WO-2016020732-A1 MODULATORS OF CASPASE-6 THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-02-11 WO disclosed
US-9023954-B1 Side-chain and end-group modified poly-p-phenylene oligomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-05-05 US disclosed
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
EP-0389617-B1 TREATMENT OF RHODIUM CATALYSTS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1993-03-17 EP disclosed
EP-0357997-B1 REACTIVATION OF HYDROFORMYLATION CATALYSTS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation) (US) 1992-11-25 EP disclosed
EP-0389617-A1 TREATMENT OF RHODIUM CATALYSTS. UNION CARBIDE CHEM PLASTIC (US) 1990-10-03 EP disclosed
CN-1042483-A The processing method of rhodium catalyst UNION CARBIDE CHEM PLASTIC (US) 1990-05-30 CN disclosed
US-4929767-A PRETREATING AN ORGANIC SOLUTION OF A DEACTIVATED RHODIUM-PHOSPHINE COMPLEX TO IMPROVE RHODIUM EXTRACTABILITY INTO AN AQUEOUS SOLUTION; REUSE UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-05-29 US disclosed
WO-1990003841-A1 TREATMENT OF RHODIUM CATALYSTS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-04-19 WO disclosed
CN-1040746-A The reactivation of carbonylating catalyst UNION CARBIDE CHEM PLASTIC (US) 1990-03-28 CN disclosed
EP-0357997-A1 Reactivation of hydroformylation catalysts UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation) (US) 1990-03-14 EP disclosed
US-4870048-A COLORFAST IMAGE, LIGHT RESISTANCE FUJI PHOTO FILM CO., LTD. (JP) 1989-09-26 US disclosed
US-4861918-A RHODIUM-TERITARY ORGANOPHOSPHINE COMPLEX UNION CARBIDE CORPORATION (US) 1989-08-29 US 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-20190192524-A1 Modulators of Caspase-6 CASP6, CASP10, CASP2 NAAA 804/4885EPHX1 3052/4885CA12 4477/4885

“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.