SCHEMBL13559872

SCHEMBL13559872

CC[C@@]12C(CC(C)(C)[C@@H](O)[C@@H]1O)C1=CCC3[C@@]4(C)CC[C@H](O)[C@](C)(COC(C)=O)C4CC[C@@]3(C)[C@]1(C)C[C@H]2O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ PTPN1 P18031 5/20 0.53
▸ F3 P13726 4/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ OXTR P30559 1/20 0.49
▸ AVPR1A P37288 1/20 0.49
▸ CD81 P60033 1/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ USP7 Q93009 1/20 0.49
▸ SLCO1B3 Q9NPD5 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49
▸ ALOX5 P09917 1/20 0.48
▸ EGFR P00533 2/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ TOP1 P11387 1/20 0.47
▸ BCL2L1 Q07817 1/20 0.45

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
SCHEMBL13559868 0.95 POLB (0.58) POLBPTPN1F3CYP3A4MAPK1
SCHEMBL13559907 0.93 PTPN1 (0.59) POLBPTPN1F3CYP3A4MAPK1
SCHEMBL13559863 0.92 PTPN1 (0.49) POLBPTPN1F3CYP3A4MAPK1
SCHEMBL13559912 0.91 PTPN1 (0.59) POLBPTPN1F3CYP3A4USP2
SCHEMBL15882995 0.90 PTPN1 (0.49) POLBPTPN1F3CYP3A4MAPK1
SCHEMBL13559903 0.89 PTPN1 (0.63) POLBPTPN1F3CYP3A4MAPK1
SCHEMBL18407010 0.89 PTPN1 (0.58) POLBPTPN1F3CYP3A4MAPK1
SCHEMBL13559875 0.89 POLB (0.59) POLBPTPN1F3CYP3A4MAPK1
SCHEMBL15882996 0.88 PTPN1 (0.47) POLBPTPN1F3CYP3A4MAPK1
SCHEMBL13559880 0.87 PTPN1 (0.63) POLBPTPN1F3CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140199378-A1 NEW NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LIMITED (CN) 2014-07-17 — — 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 (5 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-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 POLB 4719/4885PTPN1 2251/4885F3 683/4885
US-20120277308-A1 COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES TEK, VCAM1, EPCAM POLB 4568/4885PTPN1 1667/4885F3 379/4885
US-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES UACA, BRDT, FLT3 POLB 3658/4885PTPN1 3361/4885F3 1942/4885
US-20140199378-A1 NEW NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, TEK POLB 4748/4885PTPN1 2253/4885F3 889/4885
US-20170267714-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 POLB 4719/4885PTPN1 2251/4885F3 683/4885

“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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