SCHEMBL6312918

SCHEMBL6312918

COc1cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
VCAM1 P19320 5/20 0.42
TNFRSF1A P19438 1/20 0.42
BACE1 P56817 3/20 0.42

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
SCHEMBL6308039 0.89 BACE1 (0.47) CA1CA2VCAM1BACE1CYP3A4
SCHEMBL31046784 0.87 ESRRA (0.45) CA1CA2VCAM1BACE1CYP3A4
SCHEMBL30325932 0.83 CA1 (0.49) CA1CA2VCAM1TNFRSF1A
SCHEMBL6308031 0.81 CYP3A4 (0.44) VCAM1BACE1CYP3A4
SCHEMBL8407409 0.81 ALDH1A1 (0.48) CA2
SCHEMBL17171700 0.81 CA1 (0.50) CA1CA2VCAM1TNFRSF1A
SCHEMBL7525739 0.81 VCAM1 (0.40) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL410920 0.80 CYP3A4 (0.41) CA1CA2VCAM1BACE1CYP3A4
SCHEMBL11727327 0.79 VCAM1 (0.39) VCAM1BACE1CYP3A4
SCHEMBL7761353 0.79 PTGDR2 (0.41) CA2VCAM1BACE1CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440249-A Intrinsic anti-yellowing cycloolefin copolymer and preparation method and application thereof 中国科学院大连化学物理研究所 2024-08-06 CN claimed
CN-118440249-A Intrinsic anti-yellowing cycloolefin copolymer and preparation method and application thereof 中国科学院大连化学物理研究所 2024-08-06 CN disclosed
US-6852867-B2 Process for preparation of a benzofuran derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-08 US disclosed
US-20030204100-A1 Process for preparation of a benzofuran derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-10-30 US disclosed
EP-1304328-A1 PROCESS FOR THE PREPARATION OF A BENZOFURAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-23 EP disclosed
EP-0791589-B1 4,6-DI-t-BUTYL-2,3-DIHYDROBENZOTHIOPHENES WHICH INHIBIT LDL OXIDATION CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-03-06 EP disclosed
EP-0665208-B1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-01-13 EP disclosed
US-5789436-A ARTERIOSCLEROSIS; INHIBITORS OF OXIDATION OF LOW DENSITY LIPOPROTEINS; CHUGAI SEIYAK KABUSHIKI KAISHA (JP) 1998-08-04 US 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
EP-0791589-A1 4,6-DI-t-BUTYL-2,3-DIHYDROBENZOTHIOPHENES WHICH INHIBIT LDL OXIDATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP 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
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 (1 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-20030204100-A1 Process for preparation of a benzofuran derivative CYP2F1, CYP1A1, CYP1B1 CA1 3232/4885CA2 4068/4885TUBB4A 1966/4885

“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.