SCHEMBL8656604

SCHEMBL8656604

CCCCC(CC)C(=O)OC=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.63
CA1 P00915 4/20 0.63
MAPK1 P28482 1/20 0.53
ATM Q13315 2/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSK P43235 2/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL27646151 0.93 CA2 (0.55) CA2CA1MAPK1
Ammonia Solution, Strong SCHEMBL28159266 0.91 CA2 (0.53) CA2CA1MAPK1
SCHEMBL27650665 0.88 CA2 (0.47) CA2CA1MAPK1ATMGAA
SCHEMBL27827988 0.85 CA1 (0.47) CA2CA1ATMNPSR1CYP3A4
SCHEMBL4396327 0.85 CA2 (0.63) CA2CA1MAPK1ATMGAA
SCHEMBL14879874 0.83 CA2 (0.39) CA2CA1MAPK1TSHRSLC1A3
SCHEMBL35266 0.83 CA2 (0.61) CA2CA1MAPK1ATMGAA
SCHEMBL21811215 0.81 CA2 (0.59) CA2CA1MAPK1ATMGAA
Ethylene SCHEMBL5792695 0.81 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL27527833 0.80 CA2 (0.58) CA2CA1MAPK1ATMGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN claimed
US-5830833-A ESTER FROM POLYHYDRIC ALCOHOL AND ACID RWE-DEA AKTIENGESELLSCHAFT FUR MINERALOEL UND CHEMIE AND TEXACO DEUTSCHLAND GMBH (DE) 1998-11-03 US claimed
US-10882814-B2 Method for producing an ester PERSTORP AB (SE) 2021-01-05 US disclosed
US-20200331838-A1 METHOD FOR PRODUCING AN ESTER PERSTORP AB (SE) 2020-10-22 US disclosed
US-20190270074-A1 METHOD FOR PRODUCING A CATALYST RHODIA OPERATIONS (FR) 2019-09-05 US disclosed
EP-3452440-A1 METHOD FOR PRODUCING AN ESTER Perstorp AB (SE) 2019-03-13 EP disclosed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN disclosed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN disclosed
WO-2017192084-A1 METHOD FOR PRODUCING AN ESTER PERSTORP AB (SE) 2017-11-09 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 (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-20190270074-A1 METHOD FOR PRODUCING A CATALYST CBS, CTH, SQOR CA2 1073/4885CA1 871/4885MAPK1 4634/4885

“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.