SCHEMBL4896549

SCHEMBL4896549

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.48
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 3/20 0.48
RXFP1 Q9HBX9 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SRC P12931 1/20 0.35
ABL1 P00519 1/20 0.35
POLB P06746 3/20 0.34
KDR P35968 2/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL4897334 0.94 RXRA (0.51) RXRANR1H2NR1H3RXFP1ABL1
SCHEMBL14214305 0.90 F2 (0.39) RXRANR1H2NR1H3ALDH1A1SRC
SCHEMBL4908091 0.90 RXRA (0.52) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL14184079 0.89 RXRA (0.48) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL14184083 0.88 RXRA (0.49) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL14184087 0.87 RXRA (0.50) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL4899558 0.86 RXRA (0.59) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL4905314 0.85 RXRA (0.50) RXRANR1H2NR1H3RXFP1ALDH1A1
SCHEMBL4902420 0.85 RXRA (0.39) RXRANR1H2NR1H3KDRNPC1
SCHEMBL14184084 0.85 RXRA (0.55) 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 5 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
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.