SCHEMBL4905022

SCHEMBL4905022

Cc1ccc(Cn2c(-c3cccc(-c4ccc5cc(C(=O)OCCCN6CCCCC6)[nH]c5c4)c3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.36
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
MCHR1 Q99705 8/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
AVPR1B P47901 3/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL4906645 0.89 RXRA (0.38) RXRANR1H2NR1H3MCHR1HCRTR1
SCHEMBL4899645 0.88 RXRA (0.41) RXRANR1H2NR1H3MCHR1
SCHEMBL4899355 0.84 RXRA (0.43) RXRANR1H2NR1H3MCHR1
SCHEMBL4905891 0.84 KDM4E (0.44) RXRANR1H2NR1H3
SCHEMBL4910582 0.84 NR1H2 (0.41) RXRANR1H2NR1H3MCHR1HCRTR1
SCHEMBL4902740 0.84 RXRA (0.43) RXRANR1H2NR1H3
SCHEMBL4905744 0.83 RXRA (0.43) RXRANR1H2NR1H3HRH2HRH1
SCHEMBL4899595 0.81 RXRA (0.42) RXRANR1H2NR1H3AVPR1B
SCHEMBL4904529 0.81 RXRA (0.35) RXRANR1H2NR1H3MCHR1CTSS
Hydrochloric Acid SCHEMBL4904474 0.81 RXRA (0.42) RXRANR1H2NR1H3AVPR1B

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
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.