SCHEMBL4906009

SCHEMBL4906009

Cc1ccc(Cn2c(-c3ccc(Oc4ccc(NC(N)=O)cc4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.55
NR1H2 P55055 3/20 0.55
NR1H3 Q13133 3/20 0.55
RXFP1 Q9HBX9 8/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 5/20 0.38
TP53 P04637 3/20 0.38
POLB P06746 2/20 0.38
SRC P12931 1/20 0.37
LMNA P02545 1/20 0.37
ABL1 P00519 1/20 0.36
BACE1 P56817 1/20 0.35
AS3MT Q9HBK9 2/20 0.35

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
SCHEMBL4896060 0.94 RXRA (0.54) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL4899558 0.94 RXRA (0.59) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL14184084 0.92 RXRA (0.55) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL4908071 0.91 RXRA (0.57) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL14184086 0.90 RXRA (0.53) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL14184088 0.89 RXRA (0.53) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL2266726 0.89 NR1H2 (0.65) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL4908091 0.88 RXRA (0.52) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL2262380 0.87 NR1H2 (0.61) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL4896265 0.87 NR1H2 (0.61) 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 7 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
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-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO 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.