SCHEMBL4092248

SCHEMBL4092248

COC(=O)Cc1cccc(OCCCN(Cc2cccc(OC(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 17/20 0.65
NR1H2 P55055 8/20 0.58
RXRA P19793 2/20 0.58
MEN1 O00255 1/20 0.58
NR1I2 O75469 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
VHL P40337 1/20 0.58
RECQL P46063 1/20 0.58
BLM P54132 1/20 0.58
KMT2A Q03164 1/20 0.58
CETP P11597 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.48

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
SCHEMBL4097245 0.91 NR1H3 (0.71) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4095145 0.90 NR1H3 (0.80) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL22592564 0.90 NR1H3 (0.55) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4090778 0.90 NR1H3 (0.75) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL6513579 0.89 NR1H3 (0.81) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4097347 0.88 NR1H3 (0.72) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4097421 0.87 NR1H3 (0.66) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4086922 0.87 NR1H3 (0.66) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4092306 0.87 NR1H3 (0.74) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4086606 0.85 NR1H3 (0.64) NR1H3NR1H2RXRAMEN1NR1I2

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-10669296-B2 LXR agonists and uses thereof RGENIX, INC. (US) 2020-06-02 US disclosed
US-20170066791-A1 LXR AGONISTS AND USES THEREOF INSPIRNA, INC. 2017-03-09 US disclosed
US-20170066791-A1 LXR AGONISTS AND USES THEREOF INSPIRNA, INC. 2017-03-09 US disclosed
US-8993628-B2 Synthetic ligands selective for LXRβ over LXRα, identification and methods of use thereof CITY OF HOPE (US) 2015-03-31 US disclosed
US-20090030082-A1 SYNTHETIC LIGANDS SELECTIVE FOR LXRbeta OVER LXRalpha, IDENTIFICATION AND METHODS OF USE THEREOF CITY OF HOPE 2009-01-29 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 (3 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-10669296-B2 LXR agonists and uses thereof NR1H3, NR1H2, NR1H4 NR1H3 1/4885NR1H2 2/4885RXRA 13/4885
US-20090030082-A1 SYNTHETIC LIGANDS SELECTIVE FOR LXRbeta OVER LXRalpha, IDENTIFICATION AND METHODS OF USE THEREOF NR1H2, NR1H3, NR1H4 NR1H3 2/4885NR1H2 1/4885RXRA 108/4885
US-20170066791-A1 LXR AGONISTS AND USES THEREOF NR1H3, NR1H2, NR1H4 NR1H3 1/4885NR1H2 2/4885RXRA 13/4885

“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.