SCHEMBL23802406

SCHEMBL23802406

COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.66
▸ ALOX5 P09917 2/20 0.66
▸ F3 P13726 6/20 0.64
▸ CYP3A4 P08684 3/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ OXTR P30559 1/20 0.57
▸ AVPR1A P37288 1/20 0.57
▸ CD81 P60033 1/20 0.57
▸ SIRT5 Q9NXA8 1/20 0.57
▸ USP2 O75604 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ USP7 Q93009 1/20 0.54
▸ SLCO1B3 Q9NPD5 1/20 0.54
▸ SLCO1B1 Q9Y6L6 1/20 0.54
▸ GABRP O00591 1/20 0.52
▸ GABRD O14764 1/20 0.52
▸ AKR1B10 O60218 1/20 0.52
▸ GABRA1 P14867 1/20 0.52
▸ AKR1B1 P15121 1/20 0.52
▸ GABRB1 P18505 1/20 0.52

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
SCHEMBL1049549 0.90 PTPN1 (0.74) PTPN1ALOX5F3CYP3A4MAPK1
SCHEMBL28126637 0.90 PTPN1 (0.74) PTPN1ALOX5F3CYP3A4MAPK1
SCHEMBL5795870 0.90 PTPN1 (0.74) PTPN1ALOX5F3CYP3A4MAPK1
SCHEMBL1048326 0.83 F3 (0.73) PTPN1ALOX5F3CYP3A4MAPK1
Methyl Echinocystate SCHEMBL17030530 0.83 F3 (0.82) PTPN1F3CYP3A4MAPK1OXTR
SCHEMBL5796282 0.83 F3 (0.73) PTPN1ALOX5F3CYP3A4MAPK1
SCHEMBL5798114 0.82 PTPN1 (0.65) PTPN1ALOX5F3CYP3A4MAPK1
SCHEMBL5798116 0.82 PTPN1 (0.65) PTPN1ALOX5F3CYP3A4MAPK1
SCHEMBL2597674 0.81 F3 (0.79) PTPN1ALOX5F3CYP3A4MAPK1
SCHEMBL13629636 0.81 F3 (0.79) PTPN1ALOX5F3CYP3A4MAPK1

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-20210284677-A1 NOVEL TRITERPENE SAPONIN DERIVATIVE AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-09-16 — — 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-20210284677-A1 NOVEL TRITERPENE SAPONIN DERIVATIVE AND USE THEREOF GRAMD1A, STARD7, STARD10 PTPN1 3552/4885ALOX5 3423/4885F3 3982/4885

“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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