SCHEMBL13111981

SCHEMBL13111981

CCc1cc2c(cc1C(C)C)CCC1C(C)(C(=O)O)CCCC21C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.71
OPRK1 P41145 1/20 0.71
KARS1 Q15046 4/20 0.65
RXRA P19793 1/20 0.65
CCNE1 P24864 1/20 0.65
CDK2 P24941 1/20 0.65
RXRB P28702 1/20 0.65
RXRG P48443 1/20 0.65
POLA1 P09884 4/20 0.58
PDE4D Q08499 1/20 0.58
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
ABHD16A O95870 2/20 0.52
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
SOD1 P00441 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48

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
SCHEMBL2603459 0.94 NR1I2 (0.71) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL14648810 0.92 NR1I2 (0.68) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL16517876 0.90 NR1I2 (0.66) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL14648821 0.88 NR1I2 (0.64) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL2603443 0.88 NR1I2 (0.75) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL2603439 0.87 NR1I2 (0.74) NR1I2OPRK1KARS1RXRACCNE1
Lambertic Acid SCHEMBL31674429 0.87 NR1I2 (0.74) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL15342889 0.86 NR1I2 (0.72) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL2603448 0.86 NR1I2 (0.72) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL14299763 0.86 NR1I2 (0.72) NR1I2OPRK1KARS1RXRACCNE1

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-20100256082-A1 Metallo-hydrolase inhibitors using metal binding moietes in combination with targeting moieties VIAMET PHARMACEUTICALS, INC. (US) 2010-10-07 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 (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-20100256082-A1 Metallo-hydrolase inhibitors using metal binding moietes in combination with targeting moieties MMEL1, MPI, METAP1 NR1I2 2630/4885OPRK1 4485/4885KARS1 2702/4885

“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.