SCHEMBL2262136

SCHEMBL2262136

Cc1ccc(Cn2c(-c3ccc(Oc4ccc(C)cc4C)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.60
NR1H3 Q13133 4/20 0.60
RXRA P19793 3/20 0.60
AR P10275 9/20 0.39
ALDH1A1 P00352 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
ESRRA P11474 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
CNR1 P21554 1/20 0.35
GPR183 P32249 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2264449 0.95 NR1H2 (0.55) NR1H2NR1H3RXRAARALDH1A1
SCHEMBL2261843 0.95 NR1H2 (0.55) NR1H2NR1H3RXRAARALDH1A1
SCHEMBL2389421 0.94 NR1H2 (0.60) NR1H2NR1H3RXRAARALDH1A1
SCHEMBL2388648 0.94 RXRA (0.53) NR1H2NR1H3RXRAARALDH1A1
SCHEMBL2263607 0.94 NR1H2 (0.64) NR1H2NR1H3RXRAARALDH1A1
SCHEMBL2266726 0.93 NR1H2 (0.65) NR1H2NR1H3RXRAARALDH1A1
SCHEMBL2387552 0.93 NR1H2 (0.52) NR1H2NR1H3RXRAARALDH1A1
SCHEMBL2386595 0.92 NR1H2 (0.52) NR1H2NR1H3RXRAARALDH1A1
SCHEMBL2389273 0.92 NR1H2 (0.51) NR1H2NR1H3RXRAARALDH1A1
SCHEMBL5809893 0.91 NR1H2 (0.61) NR1H2NR1H3RXRAARALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US claimed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US claimed
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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 (4 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 NR1H2 1/4885NR1H3 3/4885RXRA 20/4885
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885

“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.