SCHEMBL3473582

SCHEMBL3473582

COc1cccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)c1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.60
NR1H2 P55055 6/20 0.60
NR1H3 Q13133 6/20 0.60
KCNN4 O15554 1/20 0.38
SLC16A3 O15427 3/20 0.37
SLC16A1 P53985 2/20 0.37
APP P05067 1/20 0.36
MARS1 P56192 1/20 0.36
P2RX7 Q99572 1/20 0.35
BRAF P15056 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
PTGS2 P35354 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 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
SCHEMBL3472360 0.93 RXRA (0.58) RXRANR1H2NR1H3KCNN4SLC16A3
SCHEMBL3473212 0.90 RXRA (0.59) RXRANR1H2NR1H3KCNN4SLC16A3
SCHEMBL3471484 0.87 RXRA (0.63) RXRANR1H2NR1H3KCNN4SLC16A3
SCHEMBL3473478 0.86 RXRA (0.57) RXRANR1H2NR1H3KCNN4SLC16A3
SCHEMBL3473862 0.86 RXRA (0.57) RXRANR1H2NR1H3KCNN4SLC16A3
SCHEMBL3473617 0.86 RXRA (0.58) RXRANR1H2NR1H3KCNN4SLC16A3
SCHEMBL3473365 0.85 RXRA (0.67) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL15641685 0.85 RXRA (0.58) RXRANR1H2NR1H3KCNN4SLC16A3
SCHEMBL3473964 0.85 RXRA (0.58) RXRANR1H2NR1H3KCNN4SLC16A3
SCHEMBL3471397 0.84 RXRA (0.58) RXRANR1H2NR1H3SLC16A3SLC16A1

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-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
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-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.