SCHEMBL29405619

SCHEMBL29405619

O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.86
▸ KDM4E B2RXH2 3/20 0.86
▸ MAPT P10636 3/20 0.86
▸ HSD17B10 Q99714 3/20 0.86
▸ MMP1 P03956 3/20 0.86
▸ SRC P12931 3/20 0.86
▸ AKR1B1 P15121 3/20 0.86
▸ POLB P06746 2/20 0.86
▸ GAA P10253 2/20 0.86
▸ HPGD P15428 2/20 0.86
▸ RECQL P46063 2/20 0.86
▸ APP P05067 2/20 0.86
▸ LCK P06239 2/20 0.86
▸ TTR P02766 2/20 0.86
▸ CYP1A2 P05177 1/20 0.86
▸ KDM1A O60341 1/20 0.86
▸ USP2 O75604 1/20 0.86
▸ JUN P05412 1/20 0.86
▸ FYN P06241 1/20 0.86
▸ THRB P10828 1/20 0.86

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
Clinopodic Acid A SCHEMBL31488556 0.93 MMP1 (0.86) TDP1KDM4EMAPTHSD17B10MMP1
Rosmarinic Acid SCHEMBL29371115 0.93 TDP1 (1.00) TDP1KDM4EMAPTHSD17B10MMP1
Rosmarinic Acid SCHEMBL29482753 0.93 TDP1 (1.00) TDP1KDM4EMAPTHSD17B10MMP1
Rosmarinic Acid SCHEMBL29438187 0.93 TDP1 (1.00) TDP1KDM4EMAPTHSD17B10MMP1
Rosmarinic Acid SCHEMBL7458453 0.93 TDP1 (1.00) TDP1KDM4EMAPTHSD17B10MMP1
Rosmarinic Acid SCHEMBL15263387 0.93 TDP1 (1.00) TDP1KDM4EMAPTHSD17B10MMP1
Rosmarinic Acid SCHEMBL19348 0.93 TDP1 (1.00) TDP1KDM4EMAPTHSD17B10MMP1
Rosmarinic Acid SCHEMBL1650675 0.93 TDP1 (1.00) TDP1KDM4EMAPTHSD17B10MMP1
Rosmarinic Acid SCHEMBL15263386 0.93 TDP1 (1.00) TDP1KDM4EMAPTHSD17B10MMP1
Rosmarinic Acid SCHEMBL29453379 0.93 TDP1 (1.00) TDP1KDM4EMAPTHSD17B10MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118272328-A Caffeoyl-CoA ligase mutant protein, encoding gene, recombinant vector, recombinant bacterium and application thereof 扬州大学 2024-07-02 — — CN disclosed
CN-111132688-B Cyclosporin analogues and uses thereof 西普拉里斯有限公司 2023-12-15 — — CN disclosed
CN-116964133-A Condensation curable composition comprising a siloxane-imide crosslinker 迈图高新材料公司 2023-10-27 — — CN disclosed
CN-116888194-A Condensation curable composition comprising a siloxane-imide base polymer 迈图高新材料公司 2023-10-13 — — CN disclosed
US-20230312471-A1 CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES Universität Konstanz (DE) 2023-10-05 — — US disclosed
EP-4204089-A1 CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES Universität Konstanz (DE) 2023-07-05 — — EP disclosed
CN-116350598-A Film forming composition for vitamin D drugs, pharmaceutical preparation and preparation method thereof 人福普克药业(武汉)有限公司 2023-06-30 — — CN disclosed
WO-2022043435-A1 CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES Universität Konstanz (DE) 2022-03-03 — — WO disclosed
EP-3960239-A1 PROTEASES INHIBITORS FOR USE IN THE TREATMENT OF INFECTIONS CAUSED BY SARS CORONAVIRUSES Universität Konstanz (DE) 2022-03-02 — — 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-20230312471-A1 CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES SARS1, ACE, ACE2 TDP1 2007/4885KDM4E 3340/4885MAPT 2075/4885

“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.

Send feedback