SCHEMBL13381069

SCHEMBL13381069

CCC1(C(=O)OC)O[C@@H](O[C@@H]2C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC(O)C(OCc3ccccc3)[C@H]2OC(C)=O)C(OC)[C@@H](OC)[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.35
▸ GJB2 P29033 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ NT5E P21589 1/20 0.32
▸ PTPN1 P18031 5/20 0.32
▸ PTPN2 P17706 4/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CA12 O43570 4/20 0.31
▸ CA1 P00915 4/20 0.31
▸ CA2 P00918 4/20 0.31
▸ CA9 Q16790 4/20 0.31
▸ LGALS8 O00214 1/20 0.30
▸ CDC25B P30305 3/20 0.30
▸ SELP P16109 2/20 0.30
▸ CDC25A P30304 1/20 0.30

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
SCHEMBL13381064 0.94 NT5E (0.36) GJB2LMNANT5EPTPN1PTPN2
SCHEMBL13381070 0.90 NT5E (0.33) GJB2LMNANT5EPTPN1PTPN2
SCHEMBL13381058 0.88 LMNA (0.41) TNFLMNACYP2D6ALDH1A1MAPK1
SCHEMBL13381067 0.83 GJB2 (0.43) GJB2LMNANT5EPTPN1PTPN2
SCHEMBL13381052 0.83 LMNA (0.45) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL13381065 0.81 LGALS8 (0.39) GJB2LMNANT5EPTPN1PTPN2
SCHEMBL13381053 0.80 LMNA (0.38) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL13381060 0.78 PTPN1 (0.47) GJB2NT5EPTPN1PTPN2CDC25B
SCHEMBL30436496 0.74 SSTR1 (0.41) TNFNT5EPTPN1PTPN2CDC25B
SCHEMBL13381063 0.73 PTPN1 (0.48) GJB2NT5EPTPN1PTPN2CDC25B

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-20100081708-A1 ANTICOAGULANT COMPOUNDS ENDOTIS PHARMA (FR) 2010-04-01 — — 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-20100081708-A1 ANTICOAGULANT COMPOUNDS SERPINC1, F2, FUT5 TNF 1639/4885GJB2 4413/4885LMNA 2211/4885

“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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