SCHEMBL919773

SCHEMBL919773

COc1cccc(Oc2cc[c]cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ MTNR1B P49286 9/20 0.50
▸ MTNR1A P48039 6/20 0.50
▸ LTA4H P09960 1/20 0.48
▸ ACHE P22303 1/20 0.47
▸ PGR P06401 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ NLRP1 Q9C000 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL2752472 0.85 ALDH1A1 (0.50) SMN1; SMN2LTA4HALDH1A1MEN1KMT2A
SCHEMBL10709191 0.85 SMN1; SMN2 (0.80) SMN1; SMN2MTNR1BMTNR1ALTA4HACHE
SCHEMBL1061713 0.85 SMN1; SMN2 (0.72) SMN1; SMN2MTNR1BMTNR1ALTA4HACHE
SCHEMBL30053231 0.85 SMN1; SMN2 (0.72) SMN1; SMN2MTNR1BMTNR1ALTA4HACHE
SCHEMBL29929943 0.85 SMN1; SMN2 (0.72) SMN1; SMN2MTNR1BMTNR1ALTA4HACHE
SCHEMBL13167638 0.85 SMN1; SMN2 (0.72) SMN1; SMN2MTNR1BMTNR1ALTA4HACHE
SCHEMBL1283523 0.84 CYP2A6 (0.52) SMN1; SMN2LTA4HALDH1A1MEN1KMT2A
SCHEMBL11049862 0.83 SMN1; SMN2 (0.77) SMN1; SMN2MTNR1BMTNR1ALTA4HACHE
SCHEMBL491308 0.83 SMN1; SMN2 (0.70) SMN1; SMN2MTNR1BMTNR1ALTA4HACHE
SCHEMBL920806 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MTNR1BMTNR1ALTA4HACHE

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110494433-A Bruton's tyrosine kinase inhibitor LIAO XIBIN 2019-11-22 — — CN claimed
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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 — — WO 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
CN-110494433-A Bruton's tyrosine kinase inhibitor LIAO XIBIN 2019-11-22 — — CN disclosed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 — — EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US 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-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
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 — — US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — WO disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 — — US disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 — — 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 (2 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 SMN1; SMN2 4327/4885MTNR1B 225/4885MTNR1A 310/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 SMN1; SMN2 4604/4885MTNR1B 2111/4885MTNR1A 1415/4885

“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.

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