SCHEMBL920705

SCHEMBL920705

CC(C)c1cccc(Oc2cc[c]cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL123764 0.87 PTGS1 (0.58) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL30345552 0.87 PTGS1 (0.56) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL11063307 0.87 PTGS1 (0.56) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL765113 0.85 PTGS1 (0.66) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL30358257 0.85 PTGS1 (0.66) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL15849013 0.85 PTGS1 (0.55) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL8636829 0.83 PTGS1 (0.54) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL14020499 0.80 SMN1; SMN2 (0.58) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL257802 0.80 ALDH1A1 (0.53) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL2262642 0.79 ALDH1A1 (0.37) MEN1KMT2ATSHRALDH1A1SMN1; SMN2

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 17 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-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 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
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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 (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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 PTGS1 1989/4885MEN1 4405/4885KMT2A 1794/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 PTGS1 1668/4885MEN1 4723/4885KMT2A 2469/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 PTGS1 3050/4885MEN1 1798/4885KMT2A 1924/4885

“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.