SCHEMBL17586296

SCHEMBL17586296

CC12CC(CCNC(=O)OC(C)(C)C)(C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
HCRTR2 O43614 1/20 0.38
DRD2 P14416 3/20 0.38
CACNA1H O95180 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL30791159 0.91 TDP1 (0.44) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL17586298 0.90 TDP1 (0.53) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL22713160 0.84 MEN1 (0.37) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL21064406 0.83 TDP1 (0.44) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL18598191 0.79 TDP1 (0.50) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL1696875 0.78 TDP1 (0.49) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL3477542 0.77 TDP1 (0.47) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL18104689 0.76 TDP1 (0.50) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL18121480 0.76 TDP1 (0.50) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL3341020 0.75 TDP1 (0.67) TDP1MEN1GAAKMT2AEPHX1

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-20160075654-A1 BICYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2016-03-17 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-20160075654-A1 BICYCLIC COMPOUNDS OPRK1, OPRM1, OPRL1 TDP1 3691/4885MEN1 2548/4885GAA 2697/4885

“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.