SCHEMBL7122113

SCHEMBL7122113

C=C(C=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 6/20 0.54
▸ TUBB4A P04350 5/20 0.54
▸ TUBB P07437 5/20 0.54
▸ TUBA3C P0DPH7 5/20 0.54
▸ TUBA1B P68363 5/20 0.54
▸ TUBA4A P68366 5/20 0.54
▸ TUBB4B P68371 5/20 0.54
▸ TUBB3 Q13509 5/20 0.54
▸ TUBB2A Q13885 5/20 0.54
▸ TUBB8 Q3ZCM7 5/20 0.54
▸ TUBA3E Q6PEY2 5/20 0.54
▸ TUBA1A Q71U36 5/20 0.54
▸ TUBA1C Q9BQE3 5/20 0.54
▸ TUBB6 Q9BUF5 5/20 0.54
▸ TUBB2B Q9BVA1 5/20 0.54
▸ NQO2 P16083 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47

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
SCHEMBL6229888 0.88 TSHR (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10674510 0.79 TSHR (0.58) NQO2ABCG2PDE4APDE4BPDE4C
SCHEMBL374153 0.78 ABCG2 (0.62) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Water SCHEMBL15135999 0.77 ABCG2 (0.60) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2127017 0.77 MEN1 (0.61) ABCG2MAPTMEN1KMT2AGAA
SCHEMBL12327912 0.75 MAPT (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27417353 0.75 MAPT (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9859825 0.74 TUBB4A (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3655501 0.74 TUBB4A (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3022881 0.74 TUBB1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008914-A1 PHARMACEUTICAL FORMULATIONS USEFUL TO TREAT INFLAMMATORY AND IMMUNE DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2003-01-09 — — US disclosed
US-20020177723-A1 Compounds and methods for the treatment of inflammatory and immune disorders LEUKOSITE, INC. 2002-11-28 — — US disclosed
US-6420392-B1 PAF RECEPTOR ANTAGONISTS AND/OR BY INHIBITING THE ENZYME 5-LIPOXYGENASE. MILLENNIUM PHARMACEUTICALS, INC. 2002-07-16 — — US disclosed
US-6294574-B1 THERAPY OF DISORDER CAUSED BY PLATELET ACTIVATION FACTOR BY TRANS-2-(5-N'-METHYL-N'-HYDROXYUREIDYLMETHYL)-3-METHOXY-4-P-CH LOROPHENYLTHIOETHOXPHENYL)-5-(3,4,5-TRIMETHOXPHENYL)TETRAHYDRO FURAN OR ITS SALT CYTOMED, INC. 2001-09-25 — — US disclosed
EP-1123095-A1 PHARMACEUTICAL FORMULATIONS USEFUL TO TREAT INFLAMMATORY AND IMMUNE DISORDERS Millennium Pharmaceuticals, Inc. (US) 2001-08-16 — — EP disclosed
EP-0650485-B1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED INC (US) 2000-10-11 — — EP disclosed
WO-2000023071-A9 PHARMACEUTICAL FORMULATIONS USEFUL TO TREAT INFLAMMATORY AND IMMUNE DISORDERS LEUKOSITE INC (US) 2000-09-14 — — WO disclosed
WO-2000023071-A1 PHARMACEUTICAL FORMULATIONS USEFUL TO TREAT INFLAMMATORY AND IMMUNE DISORDERS LEUKOSITE, INC. (US) 2000-04-27 — — WO disclosed
US-5856323-A PAF RECEPTOR ANTAGONISTS, INHIBITING THE ENZYME 5-LIPOXYGENASE CYTOMED, INC. (US) 1999-01-05 — — US disclosed
US-5741809-A Compounds and methods for the treatment of cardiovascular inflammatory and immune disorders CYTOMED, INC. (US) 1998-04-21 — — US disclosed
WO-1995018610-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1995-07-13 — — WO disclosed
EP-0650485-A1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1995-05-03 — — EP disclosed
US-5358938-A 2,5-Diaryl tetrahydrofurans, tetrahydrothiophenes, 1,3-cyclo-pentanes and pyrrolidines CYTOMED, INC. (US) 1994-10-25 — — US disclosed
WO-1994001430-A1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1994-01-20 — — WO disclosed
US-5114961-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1992-05-19 — — US disclosed
US-5010100-A Skeletal muscular disorders, hydertensive agents, cardiovascular disorders MERCK & CO. INC. (US) 1991-04-23 — — US disclosed
US-4996203-A Platelet-activating factor antagonists MERCK & CO., INC. (US) 1991-02-26 — — US disclosed
EP-0402150-A1 New 2,5-diaryl tetrahydrofurans and analogs therof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 — — EP disclosed
EP-0402151-A1 New 2, 5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1990-12-12 — — EP disclosed
US-4977146-A ANTICOAGULANT MERCK & CO., INC. (US) 1990-12-11 — — 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-20030008914-A1 PHARMACEUTICAL FORMULATIONS USEFUL TO TREAT INFLAMMATORY AND IMMUNE DISORDERS ALOX5, ALOX5AP, ALOX15 TUBB1 4469/4885TUBB4A 4397/4885TUBB 4588/4885
US-20020177723-A1 Compounds and methods for the treatment of inflammatory and immune disorders LTB4R2, LTC4S, LTB4R TUBB1 3859/4885TUBB4A 3266/4885TUBB 4174/4885

“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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