SCHEMBL25031771

SCHEMBL25031771

OC[C@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(O)C1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 2/20 0.53
▸ PDE4D Q08499 1/20 0.52
▸ SLC6A2 P23975 2/20 0.51
▸ TACR2 P21452 3/20 0.50
▸ HTR1A P08908 1/20 0.47
▸ NT5E P21589 1/20 0.47
▸ GJA1 P17302 1/20 0.46
▸ PTPN1 P18031 3/20 0.44
▸ CDC25B P30305 3/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44

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
SCHEMBL10408745 0.93 HTR1A (0.53) GJB2PDE4DSLC6A2TACR2HTR1A
SCHEMBL10408744 0.93 HTR1A (0.53) GJB2PDE4DSLC6A2TACR2HTR1A
SCHEMBL8723384 0.91 HTR1A (0.52) PDE4DSLC6A2TACR2HTR1ANT5E
SCHEMBL21657199 0.91 HTR1A (0.52) PDE4DSLC6A2TACR2HTR1ANT5E
SCHEMBL28943950 0.91 HTR1A (0.52) PDE4DSLC6A2TACR2HTR1ANT5E
SCHEMBL21013403 0.90 SLC6A2 (0.53) GJB2PDE4DSLC6A2TACR2HTR1A
SCHEMBL13430417 0.90 GJB2 (0.52) GJB2PDE4DSLC6A2TACR2HTR1A
SCHEMBL5473070 0.90 GJB2 (0.52) GJB2PDE4DSLC6A2TACR2HTR1A
SCHEMBL10778287 0.90 GJB2 (0.52) GJB2PDE4DSLC6A2TACR2HTR1A
SCHEMBL13430414 0.90 GJB2 (0.52) GJB2PDE4DSLC6A2TACR2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045939-A1 STABLE VACCINE AGAINST CLOSTRIDIUM DIFFICILE IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-16 — — 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-20230045939-A1 STABLE VACCINE AGAINST CLOSTRIDIUM DIFFICILE DDOST, SI, CD4 GJB2 2102/4885PDE4D 3352/4885SLC6A2 4157/4885

“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.

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