SCHEMBL4905068

SCHEMBL4905068

CCOC(=O)CNc1cccc(-c2cccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(C)cc3C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 5/20 0.38
IDH1 O75874 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 4/20 0.34
THRB P10828 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRCA1 P38398 1/20 0.34
CDK8 P49336 1/20 0.34
POLB P06746 1/20 0.33
POLQ O75417 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
SCHEMBL4902072 0.86 RXRA (0.46) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL14184090 0.86 RXRA (0.44) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL14214288 0.85 RXRA (0.46) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL4904313 0.85 RXRA (0.42) RXRANR1H2NR1H3KDM4ECDK8
SCHEMBL14184095 0.84 RXRA (0.40) RXRANR1H2NR1H3RXFP1KDM4E
SCHEMBL4905290 0.84 RXRA (0.43) RXRANR1H2NR1H3RXFP1KDM4E
SCHEMBL14184099 0.83 MEN1 (0.42) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL14184098 0.83 RXRA (0.43) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL14184092 0.83 MET (0.40) RXRANR1H2NR1H3
SCHEMBL4905674 0.83 NR1H2 (0.45) RXRANR1H2NR1H3RXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 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 (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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885

“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.