SCHEMBL20877882

SCHEMBL20877882

CC1CC[C@@H](O)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3C12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 1/20 0.52
▸ RECQL P46063 1/20 0.46
▸ CYP19A1 P11511 4/20 0.43
▸ ATM Q13315 1/20 0.42
▸ ALOX5 P09917 2/20 0.39
▸ SHBG P04278 3/20 0.38
▸ AR P10275 1/20 0.37
▸ CYP3A4 P08684 4/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 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
SCHEMBL19222394 0.84 ICAM1 (0.38) ICAM1RECQLCYP19A1ATMSHBG
SCHEMBL31058464 0.75 ATM (0.51) ICAM1RECQLCYP19A1ATMSHBG
SCHEMBL31005095 0.74 ICAM1 (0.58) ICAM1RECQLCYP19A1ATMALOX5
SCHEMBL31005096 0.74 ICAM1 (0.58) ICAM1RECQLCYP19A1ATMALOX5
SCHEMBL30613096 0.71 CYP19A1 (0.57) ICAM1RECQLCYP19A1ATMCYP3A4
SCHEMBL29375280 0.69 ICAM1 (1.00) ICAM1RECQLCYP19A1ATMALOX5
SCHEMBL6425405 0.65 ICAM1 (0.56) ICAM1RECQLCYP19A1ATMALOX5
SCHEMBL29886598 0.64 SHBG (0.43) CYP19A1SHBGARCYP3A4CYP1A2
SCHEMBL8571549 0.64 CYP19A1 (0.30) ICAM1RECQLCYP19A1
SCHEMBL9191205 0.63 MEN1 (0.42) ICAM1RECQLCYP19A1CYP3A4TDP1

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-10251890-B2 Use of parthenolide derivatives as antileukemic and cytotoxic agents UNIVERSITY OF KENTUCKY (US) 2019-04-09 — — 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-10251890-B2 Use of parthenolide derivatives as antileukemic and cytotoxic agents NR1H2, NR1H3, NCOR2 ICAM1 4621/4885RECQL 3337/4885CYP19A1 673/4885

“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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