SCHEMBL1931831

SCHEMBL1931831

CCC=CC[C@H]1C(=O)CC[C@]1(C)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKR1C4 P17516 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ PTGS1 P23219 1/20 0.30

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
SCHEMBL896555 1.00 AKR1C4 (0.45) AKR1C4AKR1C3AKR1C2PTGS1
SCHEMBL2477637 0.84 AKR1C4 (0.33) AKR1C4AKR1C3AKR1C2PTGS1
SCHEMBL2478484 0.84 AKR1C4 (0.33) AKR1C4AKR1C3AKR1C2PTGS1
SCHEMBL10385820 0.77 AKR1C4 (0.40) AKR1C4AKR1C3AKR1C2
SCHEMBL28625241 0.77 TLR4 (0.33) —
SCHEMBL234408 0.75 PRKCA (0.37) —
SCHEMBL2240463 0.75 PRKCA (0.37) —
SCHEMBL28619636 0.74 PRKCA (0.39) —
SCHEMBL11804557 0.73 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2
SCHEMBL57727 0.73 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2

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-20150240220-A1 NOVEL UDP-GLYCOSYLTRANSFERASE DERIVED FROM GINSENG AND USE THEREOF INTELLIGENT SYNTHETIC BIOLOGY CENTER (KR) 2015-08-27 — — US disclosed
EP-2503885-A2 PLANT GROWTH REGULATION Syngenta Participations AG (CH) 2012-10-03 — — EP disclosed
WO-2011063946-A2 PLANT GROWTH REGULATION SYNGENTA PARTICIPATIONS AG (CH) 2011-06-03 — — 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-20150240220-A1 NOVEL UDP-GLYCOSYLTRANSFERASE DERIVED FROM GINSENG AND USE THEREOF UGGT1, FNTA, UGDH AKR1C4 2193/4885AKR1C3 2373/4885AKR1C2 1719/4885

“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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