SCHEMBL16204336

SCHEMBL16204336

CC(C)c1ccc2c(c1)CCC1[C@](C)(CNF)CCC[C@]21C

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ TSHR P16473 2/20 0.74
▸ KARS1 Q15046 1/20 0.74
▸ PDK1 Q15118 1/20 0.74
▸ PDK2 Q15119 1/20 0.74
▸ PDK3 Q15120 1/20 0.74
▸ PDK4 Q16654 1/20 0.74
▸ CYP2D6 P10635 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ TP53 P04637 1/20 0.72
▸ MAPT P10636 1/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ TDP1 Q9NUW8 10/20 0.71

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
SCHEMBL18431216 1.00 MEN1 (0.74) MEN1CYP3A4KMT2ATSHRKARS1
SCHEMBL289598 0.91 MEN1 (0.77) MEN1CYP3A4KMT2ATSHRKARS1
SCHEMBL18431217 0.90 TDP1 (0.76) MEN1CYP3A4KMT2ATSHRKARS1
SCHEMBL14496633 0.90 TDP1 (0.76) MEN1CYP3A4KMT2ATSHRKARS1
SCHEMBL29353573 0.89 MEN1 (0.74) MEN1CYP3A4KMT2ATSHRKARS1
SCHEMBL19174219 0.89 MEN1 (0.74) MEN1CYP3A4KMT2ATSHRKARS1
SCHEMBL239240 0.89 MEN1 (0.74) MEN1CYP3A4KMT2ATSHRKARS1
SCHEMBL17470671 0.89 MEN1 (0.74) MEN1CYP3A4KMT2ATSHRKARS1
SCHEMBL25583004 0.87 CYP3A4 (0.79) MEN1CYP3A4KMT2ATSHRKARS1
SCHEMBL16298228 0.86 CYP3A4 (0.80) MEN1CYP3A4KMT2ATSHRKARS1

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-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2014-10-30 — — 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-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A MEN1 568/4885CYP3A4 4644/4885KMT2A 2303/4885

“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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