SCHEMBL18407007

SCHEMBL18407007

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.51
▸ F3 P13726 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ USP7 Q93009 1/20 0.46
▸ SLCO1B3 Q9NPD5 1/20 0.46
▸ SLCO1B1 Q9Y6L6 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TOP1 P11387 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ OXTR P30559 1/20 0.42
▸ AVPR1A P37288 1/20 0.42

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
SCHEMBL13559890 0.94 PTPN1 (0.53) PTPN1F3CYP3A4USP2LMNA
SCHEMBL13559882 0.92 PTPN1 (0.52) PTPN1F3CYP3A4USP2LMNA
SCHEMBL13559896 0.91 PTPN1 (0.48) PTPN1F3CYP3A4USP2LMNA
SCHEMBL13559873 0.90 PTPN1 (0.52) PTPN1F3CYP3A4USP2LMNA
SCHEMBL15882996 0.90 PTPN1 (0.47) PTPN1F3CYP3A4USP2LMNA
SCHEMBL13559879 0.89 PTPN1 (0.47) PTPN1F3CYP3A4USP2LMNA
SCHEMBL18411854 0.89 PTPN1 (0.49) PTPN1F3CYP3A4USP2LMNA
SCHEMBL18407010 0.88 PTPN1 (0.58) PTPN1F3CYP3A4USP2LMNA
SCHEMBL18407013 0.88 PTPN1 (0.53) PTPN1F3CYP3A4USP2LMNA
SCHEMBL18411860 0.87 PTPN1 (0.45) PTPN1F3CYP3A4USP2LMNA

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-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-01-26 — — 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-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 PTPN1 2251/4885F3 683/4885CYP3A4 4427/4885

“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