SCHEMBL5488315

SCHEMBL5488315

CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.42
▸ PTGS2 P35354 3/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ CA2 P00918 3/20 0.38
▸ CA1 P00915 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HPN P05981 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ GLRA3 O75311 1/20 0.33
▸ GLRB P48167 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ATP2A2 P16615 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
SCHEMBL23138994 0.80 MAPT (0.34) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL3122451 0.78 ALOX5 (0.45) PTGS1PTGS2ALOX5CA2CA1
SCHEMBL2789011 0.78 GLRA3 (0.56) PTGS1PTGS2ALOX5CA2CA1
SCHEMBL10458409 0.77 ALDH1A1 (0.36) PTGS1PTGS2ALOX5SMN1; SMN2ALDH1A1
SCHEMBL9047877 0.75 TP53 (0.39) PTGS2CA2CA1SMN1; SMN2ALDH1A1
SCHEMBL10459605 0.75 GABRA1 (0.33) PTGS1PTGS2ALOX5POLBCYP1A2
SCHEMBL13542534 0.74 HTR2C (0.34) MAPTKDM4E
SCHEMBL6767336 0.72 MAOA (0.39) ALOX5
SCHEMBL23138993 0.71 PTGS1 (0.34) PTGS1PTGS2MAPTKDM4E
SCHEMBL8863791 0.71 CA2 (0.36) PTGS1PTGS2ALOX5CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066681-A1 Pharmaceutical composition for treating fatty liver or hepatic disease CHUGAI SEIYAKU KAUSHIKI KAISHA (JP) 2007-03-22 — — US disclosed
EP-1666035-A1 MEDICINAL COMPOSITION FOR TREATMENT FOR FATTY LIVER OR LIVER DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-06-07 — — EP disclosed
US-20050159476-A1 Pharmaceutical composition for preventing or treating respiratory disease CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-07-21 — — US disclosed
EP-1490048-A4 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESPIRATORY DISEASE CHUGAI PHARMACEUTICAL CO LTD (JP) 2005-06-01 — — EP disclosed
EP-1490048-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESPIRATORY DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-12-29 — — EP disclosed
US-20030195246-A1 Seamless soft capsule preparations containing dihydrobenzofuran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-10-16 — — US disclosed
WO-2003082264-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESPIRATORY DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-10-09 — — WO disclosed
EP-1314424-A1 SEAMLESS SOFT CAPSULE PREPARATIONS CONTAINING DIHYDROBENZOFURAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-28 — — EP disclosed
US-6440999-B1 Intimal thickening inhibitory agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-27 — — US disclosed
US-6417225-B1 HYDROQUINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-09 — — US disclosed
EP-0950405-A1 REMEDIES FOR RENAL DISEASES AND ORGAN-PRESERVING AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-10-20 — — EP disclosed
EP-0665208-B1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-01-13 — — EP disclosed
EP-0868913-A1 INTIMAL THICKENING INHIBITOR Chugai Seiyaku Kabushiki Kaisha (JP) 1998-10-07 — — EP disclosed
US-5663373-A ANTIISCHEMIC AGENTS AND ANTIOXIDANTS FORMED IN MULTISTAGE REACTION WITH GRIGNARD REAGENT WITH ALDEHYDE, DISSOLVING, ACIDIFICATION, DEPROTECTION AND CYCLIZATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-09-02 — — US disclosed
US-5606089-A ANTIISCHEMIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-02-25 — — US disclosed
US-5574178-A CHEMICAL INTERMEDIATES FOR OXIDATION RESISTANCE AND ANTIISCHEMIC AGENTS FORMED BY MULTISTAGE CYCLIZATION OF ALDEHYDE-ALCOHOL CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-11-12 — — US disclosed
US-5574178-A CHEMICAL INTERMEDIATES FOR OXIDATION RESISTANCE AND ANTIISCHEMIC AGENTS FORMED BY MULTISTAGE CYCLIZATION OF ALDEHYDE-ALCOHOL CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-11-12 — — US disclosed
WO-1996022089-A1 p-HETEROATOM-SUBSTITUTED PHENOLS AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 1996-07-25 — — WO disclosed
CN-1112115-A 4-alkoxy-2, 6-di-tert-butylphenol derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1995-11-22 — — CN disclosed
EP-0665208-A1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1995-08-02 — — 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 (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-20050159476-A1 Pharmaceutical composition for preventing or treating respiratory disease CFTR, CMA1, SLC5A1 PTGS1 60/4885PTGS2 612/4885ALOX5 485/4885
US-20030195246-A1 Seamless soft capsule preparations containing dihydrobenzofuran derivatives CYP2D6, CYP2F1, SULT2A1 PTGS1 1017/4885PTGS2 988/4885ALOX5 340/4885
US-20070066681-A1 Pharmaceutical composition for treating fatty liver or hepatic disease LIPC, CPT1A, FABP1 PTGS1 590/4885PTGS2 792/4885ALOX5 211/4885

“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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