SCHEMBL19978662

SCHEMBL19978662

C/C=C(/C)C(=O)OC1[C@H](OC(C)=O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)[C@@](C)(C=O)C4CCC3(C)[C@]1(C)C[C@H]2O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR5 P32302 1/20 0.60
▸ APLNR P35414 1/20 0.60
▸ CCR6 P51684 1/20 0.60
▸ PTPN1 P18031 9/20 0.59
▸ TOP1 P11387 8/20 0.59
▸ SLCO1B3 Q9NPD5 1/20 0.57
▸ SLCO1B1 Q9Y6L6 1/20 0.57
▸ IKBKB O14920 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50

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
SCHEMBL13007191 0.92 PTPN1 (0.70) CXCR5APLNRCCR6PTPN1TOP1
SCHEMBL12944982 0.91 CXCR5 (0.67) CXCR5APLNRCCR6PTPN1TOP1
SCHEMBL19360128 0.91 CXCR5 (0.67) CXCR5APLNRCCR6PTPN1TOP1
SCHEMBL23584144 0.91 CXCR5 (0.61) CXCR5APLNRCCR6PTPN1TOP1
SCHEMBL13007183 0.90 PTPN1 (0.68) CXCR5APLNRCCR6PTPN1TOP1
SCHEMBL15393753 0.89 TOP1 (0.62) CXCR5APLNRCCR6PTPN1TOP1
SCHEMBL13559837 0.89 TOP1 (0.66) CXCR5APLNRCCR6PTPN1TOP1
SCHEMBL15393756 0.87 TOP1 (0.65) CXCR5APLNRCCR6PTPN1TOP1
SCHEMBL13867748 0.87 TOP1 (0.65) CXCR5APLNRCCR6PTPN1TOP1
SCHEMBL13288192 0.86 TOP1 (0.61) CXCR5APLNRCCR6PTPN1TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180078482-A1 COMPOSITION CONTAINING THEASAPOGENOL DERIVATIVE AS ACTIVE INGREDIENT AMOREPACIFIC CORPORATION (KR) 2018-03-22 — — US disclosed
US-20180078482-A1 COMPOSITION CONTAINING THEASAPOGENOL DERIVATIVE AS ACTIVE INGREDIENT AMOREPACIFIC CORPORATION (KR) 2018-03-22 — — 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-20180078482-A1 COMPOSITION CONTAINING THEASAPOGENOL DERIVATIVE AS ACTIVE INGREDIENT CUTA, USP25, CYP19A1 CXCR5 3322/4885APLNR 1517/4885CCR6 4307/4885

“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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