SCHEMBL17131715

SCHEMBL17131715

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

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 3/20 0.70
▸ NFKB2 Q00653 3/20 0.70
▸ RELA Q04206 3/20 0.70
▸ PTPN1 P18031 6/20 0.63
▸ F3 P13726 5/20 0.63
▸ PNLIP P16233 1/20 0.63
▸ PTPN2 P17706 1/20 0.63
▸ NOS2 P35228 1/20 0.63
▸ CES2 O00748 2/20 0.63
▸ CES1 P23141 2/20 0.63
▸ CYP3A4 P08684 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ OXTR P30559 1/20 0.61
▸ AVPR1A P37288 1/20 0.61
▸ CD81 P60033 1/20 0.61
▸ SIRT5 Q9NXA8 1/20 0.61

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
Methyl Echinocystate SCHEMBL17030530 0.86 F3 (0.82) RELAPTPN1F3PTPN2CES1
SCHEMBL18687848 0.84 PTPN1 (0.81) NFKB1NFKB2RELAPTPN1F3
SCHEMBL16152971 0.84 PTPN1 (0.81) NFKB1NFKB2RELAPTPN1F3
SCHEMBL30278367 0.84 PTPN1 (0.81) NFKB1NFKB2RELAPTPN1F3
SCHEMBL17131714 0.84 F3 (0.69) RELAPTPN1F3PTPN2CES1
SCHEMBL18712772 0.83 F3 (0.66) RELAPTPN1F3PTPN2CES1
SCHEMBL17131713 0.83 PTPN1 (0.64) NFKB1NFKB2RELAPTPN1F3
SCHEMBL6379039 0.81 NFKB1 (0.87) NFKB1NFKB2RELAPTPN1F3
SCHEMBL23802406 0.81 PTPN1 (0.66) PTPN1F3CYP3A4MAPK1OXTR
SCHEMBL19976704 0.80 F3 (0.59) NFKB1NFKB2RELAPTPN1F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920088-B2 Triterpene derivative and its anti-influenza use University of Macao (CN) 2018-03-20 — — US disclosed
US-9920088-B2 Triterpene derivative and its anti-influenza use University of Macao (CN) 2018-03-20 — — US disclosed
US-20150274766-A1 Triterpene Derivative and Its Anti-Influenza Use PEKING UNIVERSITY (CN) 2015-10-01 — — US disclosed
US-20150274766-A1 Triterpene Derivative and Its Anti-Influenza Use PEKING UNIVERSITY (CN) 2015-10-01 — — 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-20150274766-A1 Triterpene Derivative and Its Anti-Influenza Use HAVCR2, MAVS, IRF3 NFKB1 287/4885NFKB2 315/4885RELA 81/4885

“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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