SCHEMBL2264018

SCHEMBL2264018

COc1cccc(Oc2cc[c]cc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.43
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AR P10275 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL2263392 0.87 MAOB (0.41) SMN1; SMN2MAPTARMEN1KMT2A
SCHEMBL2265983 0.83 POLB (0.42) POLBACHEL3MBTL1ARMEN1
SCHEMBL2261309 0.83 SLC6A4 (0.48) L3MBTL1ARLMNA
SCHEMBL29109048 0.83 CYP3A4 (0.40) ACHEMAPTL3MBTL1ARMEN1
SCHEMBL984643 0.82 F10 (0.39) MAPTNPSR1L3MBTL1AR
SCHEMBL5583829 0.81 LTA4H (0.41) SMN1; SMN2L3MBTL1KMT2ATSHRMAPK1
SCHEMBL2262201 0.80 KDM4E (0.38) KDM4ESMN1; SMN2MAPTARMEN1
SCHEMBL2264970 0.80 AR (0.48) AR
SCHEMBL9685597 0.79 MAPT (0.43) KDM4EPOLBSMN1; SMN2ACHEMAPT
SCHEMBL5583617 0.79 TEAD1 (0.46) KDM4EPOLBMAPTNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
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 claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP claimed
JP-2005536450-A 2005-12-02 JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO claimed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP 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
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP 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 (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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 KDM4E 1528/4885POLB 3927/4885SMN1; SMN2 4327/4885

“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.