SCHEMBL3491225

SCHEMBL3491225

C[C@@H]1C[C@]23CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2CC[C@H]1C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.40
▸ CES1 P23141 2/20 0.40
▸ PTPN1 P18031 7/20 0.39
▸ GP6 Q9HCN6 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ACP1 P24666 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PTPRF P10586 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PTPN2 P17706 2/20 0.38
▸ IL1B P01584 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ PNLIP P16233 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ NFKB1 P19838 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
SCHEMBL3491226 1.00 CES2 (0.40) CES2CES1PTPN1GP6LMNA
SCHEMBL24834730 0.79 PTPN1 (0.42) CES2CES1PTPN1GP6LMNA
SCHEMBL6902690 0.77 PTPN1 (0.32) PTPN1PTPN2
SCHEMBL29421727 0.74 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL29366469 0.74 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL29552568 0.74 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL29404708 0.74 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL3492708 0.73 PTPN1 (0.58) CES2CES1PTPN1GP6LMNA
SCHEMBL13401510 0.73 PTPN1 (0.58) CES2CES1PTPN1GP6LMNA
SCHEMBL3492706 0.73 PTPN1 (0.58) CES2CES1PTPN1GP6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099640-A1 TISSUE DEGENERATION PROTECTION GEUNS JOANNES 2010-04-22 — — US disclosed
EP-2155769-A2 TISSUE DEGENERATION PROTECTION Katholieke Universiteit Leuven (BE) 2010-02-24 — — EP disclosed
WO-2008134828-A2 TISSUE DEGENERATION PROTECTION KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-13 — — WO 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-20100099640-A1 TISSUE DEGENERATION PROTECTION SORD, CASP3, TXNRD2 CES2 2098/4885CES1 2841/4885PTPN1 3492/4885

“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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