SCHEMBL4278231

SCHEMBL4278231

C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.68
▸ TOP1 P11387 6/20 0.68
▸ IKBKB O14920 1/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ CXCR5 P32302 1/20 0.56
▸ APLNR P35414 1/20 0.56
▸ CCR6 P51684 1/20 0.56
▸ CYP3A4 P08684 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ OXTR P30559 1/20 0.53
▸ AVPR1A P37288 1/20 0.53
▸ CD81 P60033 1/20 0.53
▸ F3 P13726 1/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53

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
SCHEMBL30079641 1.00 PTPN1 (0.68) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13007183 0.95 PTPN1 (0.68) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL29934956 0.94 PTPN1 (0.68) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13007191 0.93 PTPN1 (0.70) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL12945048 0.92 TOP1 (0.64) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL21288235 0.91 PTPN1 (0.63) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13559865 0.90 TOP1 (0.62) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13559856 0.90 TOP1 (0.62) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL13867748 0.89 TOP1 (0.65) PTPN1TOP1IKBKBNFKB1NFKB2
SCHEMBL15393756 0.89 TOP1 (0.65) PTPN1TOP1IKBKBNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618946-B2 Analgesic compounds, extracts containing same and methods of preparation GRIFFITH UNIVERSITY (AU) 2009-11-17 — — US disclosed
US-20070270375-A1 Novel Analgesic Compounds, Extracts Containing Same and Methods of Preparation JARLMADANGAH BURU ABORIGINAL CORPORATION (AU) 2007-11-22 — — US disclosed
CN-1938326-A Novel analgesic compounds, extracts containing same and methods of preparation UNIV GRIFFITH (AU) 2007-03-28 — — CN disclosed
EP-1687320-A1 NOVEL ANALGESIC COMPOUNDS, EXTRACTS CONTAINING SAME AND METHODS OF PREPARATION GRIFFITH UNIVERSITY (AU) 2006-08-09 — — EP disclosed
WO-2005051969-A1 NOVEL ANALGESIC COMPOUNDS, EXTRACTS CONTAINING SAME AND METHODS OF PREPARATION GRIFFITH UNIVERSITY (AU) 2005-06-09 — — WO 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-20070270375-A1 Novel Analgesic Compounds, Extracts Containing Same and Methods of Preparation DDOST, BBOX1, DAD1 PTPN1 4182/4885TOP1 2793/4885IKBKB 1022/4885

“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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