SCHEMBL13007191

SCHEMBL13007191

C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)C(C)(C)CC2C3=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@]21CO

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.70
▸ TOP1 P11387 8/20 0.66
▸ CXCR5 P32302 1/20 0.64
▸ APLNR P35414 1/20 0.64
▸ CCR6 P51684 1/20 0.64
▸ SLCO1B3 Q9NPD5 1/20 0.61
▸ SLCO1B1 Q9Y6L6 1/20 0.61
▸ IKBKB O14920 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ RELA Q04206 1/20 0.59

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
SCHEMBL13007183 0.98 PTPN1 (0.68) PTPN1TOP1CXCR5APLNRCCR6
SCHEMBL12945048 0.94 TOP1 (0.64) PTPN1TOP1CXCR5APLNRCCR6
SCHEMBL15393753 0.94 TOP1 (0.62) PTPN1TOP1CXCR5APLNRCCR6
SCHEMBL12944982 0.93 CXCR5 (0.67) PTPN1TOP1CXCR5APLNRCCR6
SCHEMBL19360128 0.93 CXCR5 (0.67) PTPN1TOP1CXCR5APLNRCCR6
SCHEMBL4278231 0.93 PTPN1 (0.68) PTPN1TOP1CXCR5APLNRCCR6
SCHEMBL29934956 0.93 PTPN1 (0.68) PTPN1TOP1CXCR5APLNRCCR6
SCHEMBL30079641 0.93 PTPN1 (0.68) PTPN1TOP1CXCR5APLNRCCR6
SCHEMBL23584144 0.93 CXCR5 (0.61) PTPN1TOP1CXCR5APLNRCCR6
SCHEMBL19978662 0.92 CXCR5 (0.60) PTPN1TOP1CXCR5APLNRCCR6

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-20190256543-A1 METHODS AND COMPOUNDS FOR MODULATING THE SECRETION OR EXPRESSION OF ADHESION PROTEINS OR ANGIOPOIETINS OF CELLS PACIFIC ARROW LTD (CN) 2019-08-22 — — US disclosed
US-20160354397-A1 METHODS AND COMPOUNDS FOR MODULATING THE SECRETION OR EXPRESSION OF ADHESION PROTEINS OR ANGIOPOIETINS OF CELLS PACIFIC ARROW LTD (CN) 2016-12-08 — — US disclosed
US-9382285-B2 Methods and compounds for modulating the secretion or expression of adhesion proteins or angiopoietins of cells PACIFIC ARROW LIMITED (CN) 2016-07-05 — — US disclosed
US-8586719-B2 Triterpenes for modulating gene expression and cell membrane, and as antiprotozoal agents PACIFIC ARROW LIMITED (CN) 2013-11-19 — — US disclosed
US-20100317606-A1 NOVEL TRITERPENES FOR MODULATING GENE EXPRESSION AND CELL MEMBRANE, AND AS ANTIPROTOZOAL AGENTS PACIFIC ARROW LIMITED (CN) 2010-12-16 — — 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 (3 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-20190256543-A1 METHODS AND COMPOUNDS FOR MODULATING THE SECRETION OR EXPRESSION OF ADHESION PROTEINS OR ANGIOPOIETINS OF CELLS TEK, FN1, MYL6 PTPN1 1136/4885TOP1 2449/4885CXCR5 1259/4885
US-20100317606-A1 NOVEL TRITERPENES FOR MODULATING GENE EXPRESSION AND CELL MEMBRANE, AND AS ANTIPROTOZOAL AGENTS TEK, PTK2, MPL PTPN1 1647/4885TOP1 1603/4885CXCR5 1487/4885
US-20160354397-A1 METHODS AND COMPOUNDS FOR MODULATING THE SECRETION OR EXPRESSION OF ADHESION PROTEINS OR ANGIOPOIETINS OF CELLS TEK, FN1, MYL6 PTPN1 1136/4885TOP1 2449/4885CXCR5 1259/4885

“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.

Send feedback