Butylated Hydroxytoluene

Butylated Hydroxytoluene

SCHEMBL3134340

Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccccc1

nearest known ligand 0.75

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ ALDH1A1 P00352 2/20 0.75
▸ POLB P06746 1/20 0.75
▸ TYR P14679 1/20 0.75
▸ HSPA5 P11021 1/20 0.55
▸ PTGS1 P23219 2/20 0.55
▸ PTGS2 P35354 2/20 0.55
▸ CYP2C9 P11712 4/20 0.53
▸ CYP2C19 P33261 4/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ CA1 P00915 2/20 0.52
▸ TSHR P16473 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TNFRSF1A P19438 1/20 0.46

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
Butylated Hydroxytoluene SCHEMBL530460 0.90 CA2 (0.72) CA2SMN1; SMN2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL4170581 0.89 SMN1; SMN2 (0.95) CA2SMN1; SMN2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL1446620 0.88 CA2 (0.75) CA2SMN1; SMN2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL6436436 0.87 SMN1; SMN2 (0.90) CA2SMN1; SMN2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL3950 0.87 SMN1; SMN2 (1.00) CA2SMN1; SMN2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL453824 0.87 SMN1; SMN2 (1.00) CA2SMN1; SMN2ALDH1A1POLBTYR
Toluene SCHEMBL27737615 0.86 CA2 (0.55) CA2SMN1; SMN2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL7590469 0.86 ALDH1A1 (0.72) CA2SMN1; SMN2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL3687285 0.85 CA2 (0.78) CA2SMN1; SMN2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL9394538 0.85 CA2 (0.78) CA2SMN1; SMN2ALDH1A1POLBTYR

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
CN-115029407-A Preparation method of chilli seed antioxidant 四川农业大学 2022-09-09 — — CN disclosed
CN-110734508-B Method for disassembling natural rubber 中国热带农业科学院农产品加工研究所 2020-09-04 — — CN disclosed
CN-110734508-A Method for disassembling natural rubbers 中国热带农业科学院农产品加工研究所 2020-01-31 — — CN disclosed
US-20100003711-A1 Methods to identify therapeutic agents THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-07 — — US disclosed
US-20090275064-A1 Methods to identify therapeutic agents THE SCRIPPS RESEARCH INSTITUTE (US) 2009-11-05 — — US disclosed
US-20070059242-A1 METHODS TO IDENTIFY THERAPEUTIC AGENTS SCRIPPS RESEARCH INSTITUTE, THE 2007-03-15 — — US disclosed
US-20060217359-A1 Therapeutic procedures NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 — — US disclosed
US-20060210554-A1 Detection of cholesterol ozonation products NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-09-21 — — US disclosed
EP-1670812-A2 OZONATION PRODUCTS OF CHOLESTEROL FOR THE TREATMENT AND PREVENTION OF ATHEROSCLEROSIS AND/OR CARDIOVASCULAR DISEASES The Scripps Research Institute (US) 2006-06-21 — — EP disclosed
EP-1668026-A1 DETECTION OF CHOLESTEROL OZONATION PRODUCTS The Scripps Research Institute (US) 2006-06-14 — — EP disclosed
US-20050085557-A1 Oxidation of cholesterol in atherosclerosis plaque; cytotoxic SCRIPPS RESEARCH INSTITUTE, THE 2005-04-21 — — US disclosed
US-20050085556-A1 Detection of cholesterol ozonation products SCRIPPS RESEARCH INSTITUTE, THE 2005-04-21 — — US disclosed
WO-2005023830-A2 OZONATION PRODUCTS OF CHOLESTEROL FOR THE TREATMENT AND PREVENTION OF ATHEROSCLEROSIS AND/OR CARDIOVASCULAR DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2005-03-17 — — WO disclosed
WO-2005023831-A1 DETECTION OF CHOLESTEROL OZONATION PRODUCTS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-03-17 — — WO 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 (6 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-20070059242-A1 METHODS TO IDENTIFY THERAPEUTIC AGENTS MSR1, SCARB1, LDLR CA2 4150/4885SMN1; SMN2 4510/4885ALDH1A1 1131/4885
US-20050085556-A1 Detection of cholesterol ozonation products APOB, CETP, PCSK9 CA2 2003/4885SMN1; SMN2 4834/4885ALDH1A1 2555/4885
US-20050085557-A1 Oxidation of cholesterol in atherosclerosis plaque; cytotoxic APOB, LDLR, CETP CA2 3181/4885SMN1; SMN2 4704/4885ALDH1A1 2866/4885
US-20060217359-A1 Therapeutic procedures APOB, LIPA, CETP CA2 1626/4885SMN1; SMN2 4498/4885ALDH1A1 2247/4885
US-20090275064-A1 Methods to identify therapeutic agents MSR1, SCARB1, LDLR CA2 3944/4885SMN1; SMN2 4549/4885ALDH1A1 1174/4885
US-20060210554-A1 Detection of cholesterol ozonation products APOB, CETP, PCSK9 CA2 2003/4885SMN1; SMN2 4834/4885ALDH1A1 2555/4885

“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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