SCHEMBL9111830

SCHEMBL9111830

CC(C)c1ccc2c(c1)CCC1[C@](C)(CNC(=O)c3ccccc3)CCC[C@]21C

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 12/20 0.79
▸ CYP3A4 P08684 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ AR P10275 2/20 0.70
▸ HDAC3 O15379 1/20 0.68
▸ HDAC1 Q13547 1/20 0.68
▸ HDAC2 Q92769 1/20 0.68
▸ KARS1 Q15046 1/20 0.66

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
SCHEMBL8785108 0.90 TDP1 (0.72) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL11817724 0.89 TDP1 (0.82) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL30265927 0.88 TDP1 (0.72) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL29975241 0.88 TDP1 (0.79) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL20856806 0.88 TDP1 (0.82) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL9112314 0.88 TDP1 (0.82) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL9107959 0.85 TDP1 (0.78) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL9109761 0.84 TDP1 (0.76) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL20874417 0.84 TDP1 (0.76) TDP1CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL8884938 0.83 HDAC3 (0.70) TDP1CYP3A4CYP2D6CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2014-10-30 — — US claimed
WO-2012078667-A9 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION (US) 2012-08-16 — — WO claimed
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-07 — — US claimed
US-9839618-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2017-12-12 — — US disclosed
US-9839618-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2017-12-12 — — US disclosed
US-20170079936-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2017-03-23 — — US disclosed
US-20170079936-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2017-03-23 — — US disclosed
US-9556101-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2017-01-31 — — US disclosed
US-9556101-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2017-01-31 — — US disclosed
US-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2014-10-30 — — US disclosed
US-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2014-10-30 — — US disclosed
US-8785502-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2014-07-22 — — US disclosed
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-07 — — US disclosed
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-07 — — 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-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A TDP1 62/4885CYP3A4 4644/4885CYP2D6 3991/4885
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A TDP1 62/4885CYP3A4 4644/4885CYP2D6 3991/4885
US-20170079936-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A TDP1 62/4885CYP3A4 4644/4885CYP2D6 3991/4885

“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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