SCHEMBL17132986

SCHEMBL17132986

CC1(C)CC[C@@]2(C(=O)N[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)C(C1)C1=CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F3 P13726 8/20 0.73
▸ SIRT5 Q9NXA8 3/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ OXTR P30559 1/20 0.68
▸ AVPR1A P37288 1/20 0.68
▸ CD81 P60033 1/20 0.68
▸ PTPN1 P18031 7/20 0.56
▸ EGLN2 Q96KS0 1/20 0.56
▸ EGLN1 Q9GZT9 1/20 0.56
▸ EGLN3 Q9H6Z9 1/20 0.56
▸ P4HTM Q9NXG6 1/20 0.56
▸ AKR1B10 O60218 3/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ POLB P06746 3/20 0.54
▸ PTPN2 P17706 3/20 0.54
▸ PSMB11 A5LHX3 2/20 0.54
▸ PSMA7 O14818 2/20 0.54
▸ PLA2G1B P04054 2/20 0.54
▸ PTPRC P08575 2/20 0.54

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
SCHEMBL19976676 1.00 F3 (0.73) F3SIRT5CYP3A4MAPK1OXTR
SCHEMBL17133001 1.00 F3 (0.73) F3SIRT5CYP3A4MAPK1OXTR
SCHEMBL19976708 1.00 F3 (0.73) F3SIRT5CYP3A4MAPK1OXTR
SCHEMBL17132983 0.90 F3 (0.66) F3SIRT5CYP3A4MAPK1OXTR
SCHEMBL19976704 0.90 F3 (0.59) F3SIRT5CYP3A4MAPK1OXTR
SCHEMBL17133043 0.88 F3 (0.73) F3SIRT5PTPN1EGLN2EGLN1
SCHEMBL19976668 0.88 F3 (0.73) F3SIRT5PTPN1EGLN2EGLN1
SCHEMBL17030493 0.88 F3 (0.73) F3SIRT5PTPN1EGLN2EGLN1
SCHEMBL19976677 0.88 F3 (0.73) F3SIRT5PTPN1EGLN2EGLN1
SCHEMBL17133059 0.85 F3 (1.00) F3SIRT5CYP3A4MAPK1OXTR

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-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 F3 364/4885SIRT5 130/4885CYP3A4 242/4885

“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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