SCHEMBL16746147

SCHEMBL16746147

CC(C)c1ccc2c(c1C(C)C)OCC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.40
ADRB1 P08588 8/20 0.39
KDM5B Q9UGL1 1/20 0.38
PARP1 P09874 1/20 0.37
ADRB2 P07550 6/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
PGR P06401 1/20 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
SCHEMBL4100740 0.79 HTR1A (0.45) MMP12ADRB1PARP1ADRB2SMYD3
SCHEMBL16746129 0.75 MMP12 (0.43) MMP12ADRB1KDM5BPARP1ADRB2
SCHEMBL27051279 0.72 ADRB1 (0.36) MMP12ADRB1KDM5BPARP1ADRB2
SCHEMBL16746139 0.71 ALDH1A1 (0.37) HTR1ADRD2
SCHEMBL16746138 0.71 KIF11 (0.38) ADRB1KDM5BADRB2HTR1A
SCHEMBL10215347 0.71 ADRB1 (0.65) ADRB1ADRB2DRD2
SCHEMBL19697171 0.71 HTR1A (0.41) MMP12ADRB1PARP1ADRB2SMYD3
SCHEMBL14680984 0.71 ADRB2 (0.54) ADRB1ADRB2
SCHEMBL16746136 0.70 XIAP (0.36)
SCHEMBL8301820 0.69 MMP12 (0.50) MMP12PARP1PDE3BPDE3ASMYD3

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-20150148372-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 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-20150148372-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MMP12 4382/4885ADRB1 2406/4885KDM5B 2127/4885

“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.