SCHEMBL4899595

SCHEMBL4899595

Cc1ccc(Cn2c(-c3ccc(Oc4ccc5[nH]c(C(=O)OCCCN6CCOCC6)cc5c4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
HRH3 Q9Y5N1 1/20 0.38
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
AVPR1B P47901 1/20 0.34
DHODH Q02127 1/20 0.34
BCHE P06276 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34

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
Hydrochloric Acid SCHEMBL4904474 0.99 RXRA (0.42) RXRANR1H2NR1H3HRH3PDGFRB
SCHEMBL4905744 0.94 RXRA (0.43) RXRANR1H2NR1H3HRH3BCHE
SCHEMBL14214347 0.92 HRH3 (0.39) HRH3PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL4904619 0.88 RXRA (0.45) RXRANR1H2NR1H3PDGFRBPDGFRA
SCHEMBL2387472 0.88 RXRA (0.49) RXRANR1H2NR1H3HRH3KDM4E
Hydrochloric Acid SCHEMBL4904970 0.87 RXRA (0.45) RXRANR1H2NR1H3PDGFRBPDGFRA
SCHEMBL4907982 0.87 RXRA (0.45) RXRANR1H2NR1H3PDGFRBPDGFRA
SCHEMBL4897675 0.86 RXRA (0.46) RXRANR1H2NR1H3PDGFRBPDGFRA
SCHEMBL4897253 0.85 RXRA (0.48) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL14184076 0.85 RXRA (0.46) RXRANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 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.