SCHEMBL13559880

SCHEMBL13559880

CC(=O)OC[C@]1(C)C2CC[C@]3(C)C(CC=C4C5CC(C)(C)[C@@H](O)[C@H](OC(C)=O)[C@]5(CO)[C@H](O)C[C@]43C)[C@@]2(C)CC[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.63
▸ POLB P06746 1/20 0.58
▸ CXCR5 P32302 1/20 0.51
▸ APLNR P35414 1/20 0.51
▸ CCR6 P51684 1/20 0.51
▸ TOP1 P11387 3/20 0.51
▸ F3 P13726 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ USP7 Q93009 1/20 0.50
▸ SLCO1B3 Q9NPD5 1/20 0.50
▸ SLCO1B1 Q9Y6L6 1/20 0.50
▸ ALOX5 P09917 1/20 0.49
▸ EGFR P00533 2/20 0.48
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL13559875 0.95 POLB (0.59) PTPN1POLBTOP1F3CYP3A4
SCHEMBL13559871 0.94 PTPN1 (0.63) PTPN1POLBCXCR5APLNRCCR6
SCHEMBL13559907 0.92 PTPN1 (0.59) PTPN1POLBTOP1F3CYP3A4
SCHEMBL13559867 0.91 POLB (0.59) PTPN1POLBCXCR5APLNRCCR6
SCHEMBL18407010 0.91 PTPN1 (0.58) PTPN1POLBTOP1F3CYP3A4
SCHEMBL13559854 0.89 PTPN1 (0.57) PTPN1POLBCXCR5APLNRCCR6
SCHEMBL13559849 0.89 PTPN1 (0.57) PTPN1POLBCXCR5APLNRCCR6
SCHEMBL13559859 0.89 PTPN1 (0.56) PTPN1POLBCXCR5APLNRCCR6
SCHEMBL18411804 0.89 PTPN1 (0.51) PTPN1POLBCXCR5APLNRCCR6
SCHEMBL13559868 0.89 POLB (0.58) PTPN1POLBTOP1F3CYP3A4

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 9 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-20170267714-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-09-21 — — US disclosed
US-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-01-26 — — 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-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-20120277308-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LIMITED (CN) 2012-11-01 — — 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 (7 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 PTPN1 1667/4885POLB 4568/4885CXCR5 310/4885
US-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 PTPN1 2251/4885POLB 4719/4885CXCR5 667/4885
US-20230340012-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES TEK, VCAM1, MCL1 PTPN1 1266/4885POLB 4304/4885CXCR5 382/4885
US-20120277308-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES TEK, VCAM1, EPCAM PTPN1 1667/4885POLB 4568/4885CXCR5 310/4885
US-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES UACA, BRDT, FLT3 PTPN1 3361/4885POLB 3658/4885CXCR5 1808/4885
US-20140199378-A1 NEW NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, TEK PTPN1 2253/4885POLB 4748/4885CXCR5 594/4885
US-20170267714-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 PTPN1 2251/4885POLB 4719/4885CXCR5 667/4885

“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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