SCHEMBL2387939

SCHEMBL2387939

Cc1ccc(Cn2c(-c3ccc(Oc4ccc5[nH]ccc5c4)c(C)c3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
RIPK3 Q9Y572 1/20 0.37
AR P10275 8/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ESRRA P11474 1/20 0.35
PRKCQ Q04759 1/20 0.34
GLA P06280 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2266298 0.92 RXRA (0.55) RXRANR1H2NR1H3RIPK3AR
SCHEMBL2387114 0.91 RXRA (0.46) RXRANR1H2NR1H3RIPK3AR
SCHEMBL4902475 0.87 NR1H2 (0.47) RXRANR1H2NR1H3RIPK3AR
SCHEMBL4907617 0.87 NR1H2 (0.45) RXRANR1H2NR1H3RIPK3AR
SCHEMBL2262136 0.86 NR1H2 (0.60) RXRANR1H2NR1H3ARESRRA
SCHEMBL2387552 0.86 NR1H2 (0.52) RXRANR1H2NR1H3ARGLA
SCHEMBL2388648 0.86 RXRA (0.53) RXRANR1H2NR1H3ARTHRB
SCHEMBL2389421 0.86 NR1H2 (0.60) RXRANR1H2NR1H3ARGLA
SCHEMBL2386372 0.84 NR1H2 (0.52) RXRANR1H2NR1H3ARCYP3A4
SCHEMBL2386595 0.84 NR1H2 (0.52) RXRANR1H2NR1H3ARESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO 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-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
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 RXRA 16/4885NR1H2 1/4885NR1H3 2/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 RXRA 16/4885NR1H2 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.