SCHEMBL18407014

SCHEMBL18407014

CC(C)=CC(=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 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.54
▸ F3 P13726 3/20 0.49
▸ USP2 O75604 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 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
▸ POLB P06746 1/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ TOP1 P11387 3/20 0.45
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ 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
SCHEMBL13559906 0.94 PTPN1 (0.56) PTPN1F3USP2LMNACYP3A4
SCHEMBL18407010 0.92 PTPN1 (0.58) PTPN1F3USP2LMNACYP3A4
SCHEMBL18407006 0.92 PTPN1 (0.53) PTPN1F3USP2LMNACYP3A4
SCHEMBL13559859 0.91 PTPN1 (0.56) PTPN1F3USP2LMNACYP3A4
SCHEMBL13559886 0.91 PTPN1 (0.52) PTPN1F3USP2LMNACYP3A4
SCHEMBL13559874 0.90 PTPN1 (0.56) PTPN1F3USP2LMNACYP3A4
SCHEMBL13559863 0.89 PTPN1 (0.49) PTPN1F3USP2LMNACYP3A4
SCHEMBL15883009 0.88 PTPN1 (0.51) PTPN1F3USP2LMNACYP3A4
SCHEMBL18407022 0.88 NFKB1 (0.51) PTPN1F3USP2LMNACYP3A4
SCHEMBL13559866 0.88 NFKB1 (0.52) PTPN1F3USP2LMNACYP3A4

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 683/4885USP2 1137/4885

“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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