SCHEMBL14226153

SCHEMBL14226153

CC1(C)CCC2(O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)C2C1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.80
▸ CES1 P23141 2/20 0.80
▸ PTPN1 P18031 8/20 0.76
▸ PTPN2 P17706 2/20 0.76
▸ F3 P13726 1/20 0.76
▸ PNLIP P16233 1/20 0.76
▸ NOS2 P35228 1/20 0.76
▸ NFKB1 P19838 3/20 0.67
▸ NFKB2 Q00653 3/20 0.67
▸ RELA Q04206 3/20 0.67
▸ EGLN2 Q96KS0 2/20 0.56
▸ EGLN1 Q9GZT9 2/20 0.56
▸ EGLN3 Q9H6Z9 2/20 0.56
▸ P4HTM Q9NXG6 2/20 0.56
▸ USP2 O75604 1/20 0.54

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
SCHEMBL14240644 1.00 CES2 (0.80) CES2CES1PTPN1PTPN2F3
SCHEMBL2453965 0.89 CES2 (1.00) CES2CES1PTPN1PTPN2F3
SCHEMBL18687839 0.89 CES2 (1.00) CES2CES1PTPN1PTPN2F3
SCHEMBL29984730 0.89 CES2 (1.00) CES2CES1PTPN1PTPN2F3
SCHEMBL12313092 0.89 CES2 (1.00) CES2CES1PTPN1PTPN2F3
Oleanonic Acid SCHEMBL12337276 0.87 PTPN2 (1.00) CES2CES1PTPN1PTPN2F3
3-Oxo-Erythrodiol SCHEMBL18688302 0.87 CES2 (0.76) CES2CES1PTPN1PTPN2F3
Oleanonic Acid SCHEMBL12200334 0.87 PTPN2 (1.00) CES2CES1PTPN1PTPN2F3
Oleanonic Acid SCHEMBL18688313 0.87 PTPN2 (1.00) CES2CES1PTPN1PTPN2F3
SCHEMBL17166004 0.87 PTPN1 (0.85) CES2CES1PTPN1PTPN2F3

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-20120316144-A1 ANTIFUNGAL AGENT ALLIANCE CO., LTD. (JP) 2012-12-13 — — 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-20120316144-A1 ANTIFUNGAL AGENT ERG28, CYP51A1, LSS CES2 2034/4885CES1 1457/4885PTPN1 4462/4885

“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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