SCHEMBL4631695

SCHEMBL4631695

CCC(=O)OC(=O)C(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.40
CA1 P00915 2/20 0.40
NAAA Q02083 1/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
HIF1A Q16665 2/20 0.35
ESR1 P03372 1/20 0.35
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
SLC1A3 P43003 1/20 0.33

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
SCHEMBL11662121 0.87 MGAM (0.46) CA2CA1NAAAUSP2TSHR
SCHEMBL7057332 0.87 ALDH1A1 (0.46) CA2CA1NAAAUSP2TSHR
SCHEMBL28189527 0.86 CA2 (0.48) CA2CA1NAAATSHRALDH1A1
SCHEMBL247701 0.86 CA2 (0.44) CA2CA1USP2TSHRALDH1A1
SCHEMBL247702 0.83 ALDH1A1 (0.61) CA2CA1NAAAUSP2TSHR
SCHEMBL9663594 0.83 TSHR (0.42) CA2CA1TSHRALDH1A1MAPK1
SCHEMBL28461320 0.83 ALDH1A1 (0.50) CA2CA1NAAAUSP2TSHR
SCHEMBL27802394 0.83 CA2 (0.36) CA2CA1NAAAUSP2TSHR
SCHEMBL4631638 0.83 CA2 (0.66) CA2CA1NAAAUSP2TSHR
SCHEMBL21084070 0.81 MGAM (0.46) CA2CA1USP2TSHRALDH1A1

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 8 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
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
EP-1924240-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2008-05-28 EP disclosed
WO-2007033252-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2007-03-22 WO disclosed
US-20070053855-A1 Personal care products incorporating cellulosic fatty acid esters EASTMAN CHEMICAL COMPANY 2007-03-08 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB CA2 4395/4885CA1 4367/4885NAAA 1070/4885

“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.