SCHEMBL13251204

SCHEMBL13251204

CC[C@@H]1C(=O)O[C@@H]2C3C(C)=CC[C@@H](O)[C@]3(C)CC[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.41
▸ STAT3 P40763 1/20 0.35
▸ RECQL P46063 1/20 0.33
▸ ESR1 P03372 6/20 0.33
▸ ESR2 Q92731 6/20 0.33
▸ AR P10275 5/20 0.33

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
SCHEMBL30613096 0.84 CYP19A1 (0.57) CYP19A1RECQL
SCHEMBL13251206 0.78 ATM (0.38) CYP19A1STAT3RECQLESR2AR
SCHEMBL19222394 0.72 ICAM1 (0.38) CYP19A1STAT3RECQLAR
Santamarin SCHEMBL2551388 0.71 PKM (0.48) CYP19A1
Douglanin SCHEMBL30379418 0.71 PKM (0.48) CYP19A1
Santamarin SCHEMBL22305508 0.71 PKM (0.48) CYP19A1
SCHEMBL21214112 0.69 ESR2 (0.34) CYP19A1ESR1ESR2AR
SCHEMBL17086994 0.67 TAS2R46 (0.39) STAT3
SCHEMBL7741874 0.63 ALDH1A1 (0.56) —
SCHEMBL13251201 0.63 ALDH1A1 (0.56) —

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-8470875-B2 Use of parthenolide derivatives as antileukemic and cytotoxic agents UNIVERSITY OF KENTUCKY (US) 2013-06-25 — — US disclosed
US-20100184745-A1 USE OF PARTHENOLIDE DERIVATIVES AS ANTILEUKEMIC AND CYTOTOXIC AGENTS UNIVERSITY OF KENTUCKY (US) 2010-07-22 — — US disclosed
US-7678904-B2 or to treat autoimmune and inflammatory disorders; improved water solubility characteristics UNIVERSITY OF KENTUCKY (US) 2010-03-16 — — 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-20100184745-A1 USE OF PARTHENOLIDE DERIVATIVES AS ANTILEUKEMIC AND CYTOTOXIC AGENTS NR1H2, NR1H3, NCOR2 CYP19A1 664/4885STAT3 237/4885RECQL 3194/4885

“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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