SCHEMBL8293241

SCHEMBL8293241

COc1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.51
RXRG P48443 10/20 0.40
RXRB P28702 9/20 0.40
RARA P10276 5/20 0.40
RARB P10826 4/20 0.40
RARG P13631 4/20 0.40
MEN1 O00255 1/20 0.38
CYP26A1 O43174 1/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL15348324 0.87 RXRA (0.51) RXRARXRGRXRBRARARARB
SCHEMBL22923355 0.83 RXRA (0.39) RXRARXRGRXRBRARARARB
SCHEMBL4654263 0.81 RXRA (0.37) RXRARXRGRXRBADORA3CHRM1
SCHEMBL1496270 0.81 MAPT (0.38) RXRARXRGRXRB
SCHEMBL5490803 0.80 RXRA (0.49) RXRARXRGRXRBRARARARB
SCHEMBL15362744 0.80 RXRA (0.46) RXRARXRGRXRBRARARARB
SCHEMBL7622765 0.79 RXRA (0.48) RXRARXRGRXRBRARARARB
SCHEMBL26607136 0.78 RXRA (0.46) RXRARXRGRXRBMEN1KMT2A
SCHEMBL30573101 0.78 RXRA (0.46) RXRARXRGRXRBMEN1KMT2A
SCHEMBL6086554 0.78 RXRA (0.46) RXRARXRGRXRBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9203112-B2 Redox shuttles having an aromatic ring fused to a 1,1,4,4-tetrasubstituted cyclohexane ring UCHICAGO ARGONNE, LLC (US) 2015-12-01 US disclosed
US-20130288137-A1 REDOX SHUTTLES HAVING AN AROMATIC RING FUSED TO A 1,1,4,4-TETRASUBSTITUTED CYCLOHEXANE RING UCHICAGO ARGONNE, LLC 2013-10-31 US disclosed
US-7923579-B2 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2011-04-12 US disclosed
EP-1692097-B1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2009-09-02 EP disclosed
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2007-06-07 US disclosed
WO-2005058803-A1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2005-06-30 WO 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 (2 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-20130288137-A1 REDOX SHUTTLES HAVING AN AROMATIC RING FUSED TO A 1,1,4,4-TETRASUBSTITUTED CYCLOHEXANE RING SLC25A21, SLC25A1, SLC25A11 RXRA 2860/4885RXRG 3052/4885RXRB 3375/4885
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods HDAC5, HDAC1, HDAC2 RXRA 1796/4885RXRG 1653/4885RXRB 2026/4885

“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.