SCHEMBL3985969

SCHEMBL3985969

CC(C(=O)O)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 20/20 1.00
NR1H2 P55055 19/20 1.00
RXRA P19793 2/20 0.78
MEN1 O00255 1/20 0.75
NR1I2 O75469 1/20 0.75
ALDH1A1 P00352 1/20 0.75
MAPT P10636 1/20 0.75
VHL P40337 1/20 0.75
RECQL P46063 1/20 0.75
BLM P54132 1/20 0.75
KMT2A Q03164 1/20 0.75

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
Hydrochloric Acid SCHEMBL3982005 0.99 NR1H3 (0.98) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL5412814 0.92 NR1H3 (0.86) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4950865 0.90 NR1H3 (0.82) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3977525 0.90 NR1H3 (0.81) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL13764649 0.90 NR1H3 (0.81) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL13764648 0.90 NR1H3 (0.81) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3979043 0.90 NR1H3 (0.81) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL3978393 0.89 NR1H3 (0.80) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL3982885 0.89 NR1H3 (0.80) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4280646 0.88 NR1H3 (0.79) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060041164-A1 Acid and ester compounds and methods of using the same GLAXOSMITHKLINE LLC 2006-02-23 US claimed
EP-1487776-A4 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2005-05-25 EP claimed
EP-1487776-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP claimed
WO-2003082802-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO claimed
EP-3091970-B1 LXR AGONISTS AND USES THEREOF RGENIX INC (US) 2020-10-28 EP disclosed
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
EP-3091970-A1 LXR AGONISTS AND USES THEREOF Rgenix, Inc. (US) 2016-11-16 EP disclosed
WO-2015106164-A1 LXR AGONISTS AND USES THEREOF RGENIX, INC. (US) 2015-07-16 WO disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20060041164-A1 Acid and ester compounds and methods of using the same GLAXOSMITHKLINE LLC 2006-02-23 US disclosed
EP-1487776-A4 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2005-05-25 EP disclosed
EP-1487776-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003082802-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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 (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-20170066791-A1 LXR AGONISTS AND USES THEREOF NR1H3, NR1H2, NR1H4 NR1H3 1/4885NR1H2 2/4885RXRA 13/4885
US-20060041164-A1 Acid and ester compounds and methods of using the same NR1H3, NR1H2, PPARA NR1H3 1/4885NR1H2 2/4885RXRA 9/4885

“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.