SCHEMBL25723083

SCHEMBL25723083

B[C@]12CC[C@H](O)[C@](C)(CN)C1CC[C@]1(C)C2CC=C2C3CC(C)(C)[C@@H](O)[C@H](O)[C@]3(CN)[C@H](O)C[C@]21C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.48
▸ ALOX5 P09917 3/20 0.42
▸ F3 P13726 5/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ SIRT5 Q9NXA8 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ OXTR P30559 1/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ CD81 P60033 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ USP7 Q93009 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SLCO1B3 Q9NPD5 1/20 0.39
▸ SLCO1B1 Q9Y6L6 1/20 0.39
▸ AKR1B10 O60218 2/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ TOP2A P11388 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ PSMB11 A5LHX3 1/20 0.35
▸ PSMA7 O14818 1/20 0.35

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
SCHEMBL25722822 0.89 PTPN1 (0.59) PTPN1ALOX5F3CYP3A4SIRT5
SCHEMBL25723050 0.88 PTPN1 (0.55) PTPN1ALOX5F3CYP3A4USP2
SCHEMBL25722752 0.81 PTPN1 (0.57) PTPN1ALOX5F3CYP3A4SIRT5
SCHEMBL25723100 0.78 PTPN1 (0.36) PTPN1ALOX5F3CYP3A4SIRT5
SCHEMBL15132632 0.76 PTPN1 (0.68) PTPN1ALOX5F3CYP3A4USP2
SCHEMBL1050527 0.76 PTPN1 (0.68) PTPN1ALOX5F3CYP3A4USP2
SCHEMBL4324523 0.76 PTPN1 (0.68) PTPN1ALOX5F3CYP3A4USP2
SCHEMBL30222071 0.76 PTPN1 (0.68) PTPN1ALOX5F3CYP3A4USP2
SCHEMBL25725092 0.74 PTPN1 (0.44) PTPN1ALOX5F3CYP3A4SIRT5
SCHEMBL25723089 0.74 ALOX5 (0.54) PTPN1ALOX5F3CYP3A4SIRT5

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 1 patent. 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

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-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES UACA, BRDT, FLT3 PTPN1 3361/4885ALOX5 250/4885F3 1942/4885

“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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