SCHEMBL4908309

SCHEMBL4908309

Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)s2)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.71
NR1H2 P55055 4/20 0.71
NR1H3 Q13133 4/20 0.71
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 4/20 0.36
GNRHR P30968 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 2/20 0.34
PKM P14618 2/20 0.34
HPGD P15428 1/20 0.34
PKLR P30613 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
P2RX7 Q99572 1/20 0.33
CHRM5 P08912 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2388825 0.91 RXRA (0.74) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2388067 0.89 RXRA (0.67) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL4907099 0.89 RXRA (0.77) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2387808 0.86 RXRA (0.56) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2389982 0.85 RXRA (0.69) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL14214290 0.85 RXRA (0.81) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2389730 0.84 RXRA (0.69) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2388320 0.84 RXRA (0.79) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL781250 0.83 RXRA (1.00) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2390262 0.83 RXRA (0.70) RXRANR1H2NR1H3ALDH1A1POLB

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 6 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 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.