SCHEMBL39233

SCHEMBL39233

CCC(C)OC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.57
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
XDH P47989 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
FUT7 Q11130 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ESR1 P03372 2/20 0.51
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
PTPN11 Q06124 2/20 0.46
PRKCA P17252 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
SCHEMBL25142271 0.86 SERPINE1 (0.54) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL7930132 0.85 SERPINE1 (0.50) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL39052 0.84 CA12 (0.67) SERPINE1L3MBTL1PRKCAPRKCDCA12
SCHEMBL23066477 0.84 CA12 (0.61) SERPINE1LMNAL3MBTL1PRKCAPRKCD
SCHEMBL4733378 0.83 ESR1 (0.58) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL7930131 0.83 SERPINE1 (0.51) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL4137305 0.83 SERPINE1 (0.73) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL4733522 0.83 PRKCA (0.68) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL38649 0.83 CA12 (0.70) KDM4EPOLBGAAXDHL3MBTL1
SCHEMBL14346381 0.83 ESR1 (0.54) SERPINE1GAAL3MBTL1ESR1PTPN11

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-114605264-A Rust conversion agent prepared from gallic acid as raw material and application thereof 中国石油化工股份有限公司 2022-06-10 CN claimed
CN-111560180-B Composition, cured product and article 荒川化学工业株式会社 2022-07-05 CN disclosed
CN-111560180-A Composition, cured product and article 荒川化学工业株式会社 2020-08-21 CN disclosed
EP-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 WO disclosed
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 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 (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-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT SERPINE1 2131/4885KDM4E 2117/4885LMNA 4349/4885

“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.