SCHEMBL26373013

SCHEMBL26373013

CC1(C)CC[C@]2(C)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)C5CC[C@]43C)[C@@H]2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F3 P13726 3/20 0.61
▸ SIRT5 Q9NXA8 3/20 0.61
▸ 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
▸ PTPN1 P18031 7/20 0.58
▸ POLB P06746 3/20 0.58
▸ PTPN2 P17706 3/20 0.58
▸ PSMB11 A5LHX3 2/20 0.58
▸ PSMA7 O14818 2/20 0.58
▸ AKR1B10 O60218 2/20 0.58
▸ PLA2G1B P04054 2/20 0.58
▸ PTPRC P08575 2/20 0.58
▸ PTPRF P10586 2/20 0.58
▸ PSMB1 P20618 2/20 0.58
▸ CES1 P23141 2/20 0.58
▸ ACP1 P24666 2/20 0.58
▸ PSMA1 P25786 2/20 0.58

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
SCHEMBL29934656 0.92 PTPN1 (0.58) F3SIRT5CYP3A4PTPN1POLB
Quillaic Acid SCHEMBL18704373 0.88 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL26759724 0.88 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL26373052 0.88 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL18712199 0.88 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL867116 0.88 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL7770255 0.88 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL867115 0.88 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL18712200 0.88 F3 (0.79) F3SIRT5CYP3A4MAPK1OXTR
Quillaic Acid SCHEMBL18712201 0.88 F3 (0.79) 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-20230312447-A1 METHOD OF PREPARING TRITERPENOID COMPOUND NATIONAL TAIWAN UNIVERSITY (TW) 2023-10-05 — — 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-20230312447-A1 METHOD OF PREPARING TRITERPENOID COMPOUND CYP8B1, CCR8, CCR7 F3 229/4885SIRT5 2889/4885CYP3A4 505/4885

“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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