SCHEMBL3471029

SCHEMBL3471029

CC(C)(O)c1cc(-c2ccc(-c3ccc(C(=O)NCc4ccco4)cc3)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.57
NR1H2 P55055 3/20 0.57
NR1H3 Q13133 3/20 0.57
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40

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
SCHEMBL3475649 0.85 RXRA (0.62) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL3471626 0.85 RXRA (0.62) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3474058 0.82 RXRA (0.49) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3473137 0.81 RXRA (0.71) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3473797 0.81 RXRA (0.71) RXRANR1H2NR1H3POLB
SCHEMBL3473470 0.81 NR1H2 (0.66) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL3471105 0.81 RXRA (0.70) RXRANR1H2NR1H3ALDH1A1HPGD
SCHEMBL3473005 0.80 RXRA (0.68) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3471839 0.79 RXRA (0.65) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL3473734 0.78 RXRA (0.78) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US claimed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.