SCHEMBL13251206

SCHEMBL13251206

C=C1CC[C@@H](O)[C@]2(C)CC[C@H]3[C@H](CC)C(=O)O[C@@H]3C12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.38
▸ STAT3 P40763 1/20 0.33
▸ CYP19A1 P11511 2/20 0.32
▸ SHBG P04278 3/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CYP3A4 P08684 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ SERPINA6 P08185 2/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PSMB1 P20618 1/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ PSMB2 P49721 1/20 0.31

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
SCHEMBL31058464 0.84 ATM (0.51) ATMCYP19A1SHBGRECQLCYP3A4
SCHEMBL1231104 0.81 KMT2A (0.39) ATMKMT2AMEN1
SCHEMBL13251204 0.78 CYP19A1 (0.41) STAT3CYP19A1RECQLARESR2
SCHEMBL19222394 0.76 ICAM1 (0.38) ATMSTAT3CYP19A1SHBGRECQL
Reynosin SCHEMBL1683362 0.73 PKM (0.51) STAT3CYP19A1CYP3A4TP53KMT2A
Reynosin SCHEMBL1683363 0.73 PKM (0.51) STAT3CYP19A1CYP3A4TP53KMT2A
Reynosin SCHEMBL28633984 0.73 PKM (0.51) STAT3CYP19A1CYP3A4TP53KMT2A
SCHEMBL19222395 0.68 CYP19A1 (0.34) ATMSTAT3CYP19A1RECQL
SCHEMBL18923697 0.65 — —
SCHEMBL17086994 0.63 TAS2R46 (0.39) STAT3CYP3A4TP53KMT2ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099731-A1 USE OF PARTHENOLIDE DERIVATIVES AS ANTILEUKEMIC AND CYTOTOXIC AGENTS UNIVERSITY OF KENTUCKY (US) 2015-04-09 — — US disclosed
US-20130288371-A1 USE OF PARTHENOLIDE DERIVATIVES AS ANTILEUKEMIC AND CYTOTOXIC AGENTS UNIV KENTUCKY (US) 2013-10-31 — — US disclosed
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
US-7312242-B2 Use of parthenolide derivatives as antileukemic and cytotoxic agents UNIVERSITY OF KENTUCKY (US) 2007-12-25 — — 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 (3 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 ATM 2768/4885STAT3 237/4885CYP19A1 664/4885
US-20130288371-A1 USE OF PARTHENOLIDE DERIVATIVES AS ANTILEUKEMIC AND CYTOTOXIC AGENTS NR1H2, NR1H3, NCOR2 ATM 2934/4885STAT3 243/4885CYP19A1 673/4885
US-20150099731-A1 USE OF PARTHENOLIDE DERIVATIVES AS ANTILEUKEMIC AND CYTOTOXIC AGENTS NR1H2, NR1H3, NCOR2 ATM 2934/4885STAT3 243/4885CYP19A1 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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