SCHEMBL12944982

SCHEMBL12944982

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR5 P32302 1/20 0.67
▸ APLNR P35414 1/20 0.67
▸ CCR6 P51684 1/20 0.67
▸ TOP1 P11387 8/20 0.64
▸ PTPN1 P18031 8/20 0.61
▸ SLCO1B3 Q9NPD5 2/20 0.58
▸ SLCO1B1 Q9Y6L6 2/20 0.58
▸ F3 P13726 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ USP7 Q93009 1/20 0.52

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
SCHEMBL19360128 1.00 CXCR5 (0.67) CXCR5APLNRCCR6TOP1PTPN1
SCHEMBL13559837 0.98 TOP1 (0.66) CXCR5APLNRCCR6TOP1PTPN1
SCHEMBL13007191 0.93 PTPN1 (0.70) CXCR5APLNRCCR6TOP1PTPN1
SCHEMBL29934271 0.93 TOP1 (0.61) CXCR5APLNRCCR6TOP1PTPN1
SCHEMBL23584144 0.92 CXCR5 (0.61) CXCR5APLNRCCR6TOP1PTPN1
SCHEMBL13867747 0.92 TOP1 (0.65) CXCR5APLNRCCR6TOP1PTPN1
SCHEMBL19978662 0.91 CXCR5 (0.60) CXCR5APLNRCCR6TOP1PTPN1
SCHEMBL13007183 0.91 PTPN1 (0.68) CXCR5APLNRCCR6TOP1PTPN1
SCHEMBL15393753 0.90 TOP1 (0.62) CXCR5APLNRCCR6TOP1PTPN1
SCHEMBL9061363 0.90 TOP1 (0.58) CXCR5APLNRCCR6TOP1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340012-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2023-10-26 — — US disclosed
US-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2023-05-25 — — US disclosed
US-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2023-05-25 — — US disclosed
EP-3301105-A1 NEW COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES Pacific Arrow Limited (VG) 2018-04-04 — — EP disclosed
US-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-01-26 — — 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-9499577-B2 Natural and synthetic compounds for treating cancer and other diseases PACIFIC ARROW LTD (CN) 2016-11-22 — — US disclosed
US-9434677-B2 Natural and synthetic compounds for treating cancer and other diseases PACIFIC ARROW LIMITED (HK) 2016-09-06 — — 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-20140322810-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2014-10-30 — — US disclosed
US-8785405-B2 Compounds for treating cancer and other diseases PACIFIC ARROW LIMITED (CN) 2014-07-22 — — US disclosed
US-20140199378-A1 NEW NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LIMITED (CN) 2014-07-17 — — US disclosed
US-20140024113-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LIMITED (CN) 2014-01-23 — — 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-20120277308-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LIMITED (CN) 2012-11-01 — — US disclosed
WO-2011009032-A1 INHIBITING THE INVASION AND METASTASIS OF CANCER CELLS PACIFIC ARROW LIMITED (CN) 2011-01-20 — — WO 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 (9 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-20140024113-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES TEK, VCAM1, EPCAM CXCR5 310/4885APLNR 49/4885CCR6 304/4885
US-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 CXCR5 667/4885APLNR 10/4885CCR6 710/4885
US-20230340012-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES TEK, VCAM1, MCL1 CXCR5 382/4885APLNR 81/4885CCR6 449/4885
US-20100317606-A1 NOVEL TRITERPENES FOR MODULATING GENE EXPRESSION AND CELL MEMBRANE, AND AS ANTIPROTOZOAL AGENTS TEK, PTK2, MPL CXCR5 1487/4885APLNR 429/4885CCR6 267/4885
US-20120277308-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES TEK, VCAM1, EPCAM CXCR5 310/4885APLNR 49/4885CCR6 304/4885
US-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES UACA, BRDT, FLT3 CXCR5 1808/4885APLNR 1479/4885CCR6 3008/4885
US-20160354397-A1 METHODS AND COMPOUNDS FOR MODULATING THE SECRETION OR EXPRESSION OF ADHESION PROTEINS OR ANGIOPOIETINS OF CELLS TEK, FN1, MYL6 CXCR5 1259/4885APLNR 266/4885CCR6 189/4885
US-20140322810-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 CXCR5 667/4885APLNR 10/4885CCR6 710/4885
US-20140199378-A1 NEW NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, TEK CXCR5 594/4885APLNR 11/4885CCR6 676/4885

“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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