SCHEMBL4291389

SCHEMBL4291389

CC(C)(C)c1ccc(-c2cccc(O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 9/20 0.68
▸ HSD17B2 P37059 9/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ LMNA P02545 1/20 0.52
▸ TYR P14679 1/20 0.52
▸ ESR1 P03372 3/20 0.52
▸ ESR2 Q92731 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2B6 P20813 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ RXRA P19793 1/20 0.50
▸ RXRB P28702 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DHODH Q02127 1/20 0.49
▸ ASIC1 P78348 1/20 0.49
▸ ABL1 P00519 1/20 0.48

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
SCHEMBL4671855 0.88 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL15394543 0.86 KIF11 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL19585564 0.85 DHODH (0.56) HSD17B1HSD17B2CYP3A4CYP2C9LMNA
SCHEMBL25383551 0.84 RXRA (0.59) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL7898375 0.82 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9LMNA
SCHEMBL12620498 0.81 LMNA (0.58) LMNATYRESR1RXRARXRB
SCHEMBL14089413 0.81 ABL1 (0.58) LMNATYRESR1RXRARXRB
SCHEMBL22793707 0.81 DHODH (0.57) HSD17B2ESR1RXRARXRBMEN1
SCHEMBL17105790 0.81 KIF11 (0.68) HSD17B2RXRARXRBDHODHASIC1
SCHEMBL967890 0.80 NPC1 (0.54) HSD17B1HSD17B2LMNACYP1A2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065804-A1 ELECTRODEPOSITED METALLIC FINISHES INCLUDING ANTIMICROBIAL AGENTS PAVCO INC. (US) 2011-03-17 — — US claimed
WO-2009120784-A2 ELECTRODEPOSITED METALLIC FINISHES INCLUDING ANTIMICROBIAL AGENTS PAVCO INC. (US) 2009-10-01 — — WO claimed
WO-2002050002-A1 NON-HALOGENATED PHENYL SUBSTITUTED PHENOLS, ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 — — WO claimed
CN-114144420-B Organic electroluminescent compounds and organic electroluminescent device SFC株式会社 2024-03-26 — — CN disclosed
US-20220271225-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD (KR) 2022-08-25 — — US disclosed
EP-4006123-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE SFC Co., Ltd. (KR) 2022-06-01 — — EP disclosed
EP-4006123-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE SFC Co., Ltd. (KR) 2022-06-01 — — EP disclosed
CN-114144420-A Organic electroluminescent compounds and organic electroluminescent devices SFC株式会社 2022-03-04 — — CN disclosed
WO-2021015417-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE 에스에프씨 주식회사 2021-01-28 — — WO disclosed
US-20190257049-A1 Methods and Apparatus for Stabilization of Surfaces Polylast Systems, LLC 2019-08-22 — — US disclosed
US-10309070-B2 Methods and apparatus for stabilization of surfaces Polylast Systems, LLC (US) 2019-06-04 — — US disclosed
WO-2013106761-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-07-18 — — WO disclosed
US-20110065804-A1 ELECTRODEPOSITED METALLIC FINISHES INCLUDING ANTIMICROBIAL AGENTS PAVCO INC. (US) 2011-03-17 — — US disclosed
WO-2009120784-A2 ELECTRODEPOSITED METALLIC FINISHES INCLUDING ANTIMICROBIAL AGENTS PAVCO INC. (US) 2009-10-01 — — WO disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 — — US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 — — US disclosed
US-7211700-B2 Non-halogenated phenyl substituted phenols, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC. (US) 2007-05-01 — — US disclosed
US-20050239903-A1 Non-halogenated phenyl substituted phenols, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2005-10-27 — — US disclosed
US-20030207945-A1 Non-halogenated phenyl substituted phenols, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2003-11-06 — — US disclosed
US-20020119106-A1 Non-halogenated phenyl substituted phenols, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2002-08-29 — — 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 (4 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-20030207945-A1 Non-halogenated phenyl substituted phenols, antimicrobial compositions containing the same, and methods of using the same TYR, CLPP, PTPN1 HSD17B1 2985/4885HSD17B2 2947/4885CYP3A4 272/4885
US-20220271225-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE TYR, EED, DDT HSD17B1 3836/4885HSD17B2 3695/4885CYP3A4 1385/4885
US-20050239903-A1 Non-halogenated phenyl substituted phenols, antimicrobial compositions containing the same, and methods of using the same TYR, CLPP, PTPN1 HSD17B1 2985/4885HSD17B2 2947/4885CYP3A4 272/4885
US-20020119106-A1 Non-halogenated phenyl substituted phenols, antimicrobial compositions containing the same, and methods of using the same TYR, CLPP, PTPN1 HSD17B1 2985/4885HSD17B2 2947/4885CYP3A4 272/4885

“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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