SCHEMBL6024905

SCHEMBL6024905

COC1CCOC(c2cccc(O)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.50
DRD2 P14416 4/20 0.50
CYP19A1 P11511 2/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
RCE1 Q9Y256 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL9159765 0.84 HTR2C (0.40) DRD3DRD2CYP19A1DRD1DRD4
SCHEMBL10883561 0.81 DRD3 (0.54) DRD3DRD2CYP19A1CHRNB4CHRNA3
SCHEMBL9159596 0.80 DRD3 (0.32) DRD3DRD2HTR2AHTR2CHTR2B
SCHEMBL9157877 0.80 DRD3 (0.32) DRD3DRD2
SCHEMBL9301537 0.79 DRD3 (0.35) DRD3
SCHEMBL18706863 0.73 DRD3 (0.59) DRD3DRD2CYP19A1KDM4EALDH1A1
SCHEMBL9300450 0.73 TLR9 (0.32)
SCHEMBL14721136 0.73 SLC6A4 (0.37)
SCHEMBL9419138 0.72 CHRNB4 (0.44) DRD2CHRNB4CHRNA3HTR2AHTR2C
SCHEMBL10062055 0.70 DRD3 (0.59) DRD3DRD2CYP19A1ALDH1A1DRD1

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-6998415-B2 Pyrazolyl derivatives; antiinflammatory agents for inflammation; antiallergens for asthma PHARMACIA CORPORATION (US) 2006-02-14 US disclosed
US-20040147565-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. 2004-07-29 US disclosed
US-6677364-B2 ANTI-INFLAMMATORY, ANTIPYRETIC, ANALGESIC COMPOSITIONS G.D. SEARLE & CO. 2004-01-13 US disclosed
EP-0828736-B1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS SEARLE & CO (US) 2003-07-30 EP disclosed
EP-0995747-B1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors SEARLE & CO (US) 2002-08-07 EP disclosed
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. 2002-07-04 US disclosed
EP-0995747-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. (US) 2000-04-26 EP disclosed
EP-0828736-A1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
US-5643933-A Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1997-07-01 US disclosed
WO-1996038442-A1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-05 WO disclosed
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
US-5227399-A Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
EP-0501579-A1 Naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP 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-20040147565-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 DRD3 4128/4885DRD2 3401/4885CYP19A1 461/4885
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, PTGES2, PTGS2 DRD3 3714/4885DRD2 3053/4885CYP19A1 319/4885

“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.