SCHEMBL1119249

SCHEMBL1119249

COc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP3A4 P08684 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ ALOX15 P16050 2/20 0.48
▸ ALOX12 P18054 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ LCK P06239 2/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ PRKACG P22612 1/20 0.45
▸ PRKACB P22694 1/20 0.45
▸ ABL1 P00519 2/20 0.43

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
SCHEMBL8990149 0.87 GABRA1 (0.52) ALOX5PTGS2ALDH1A1CYP3A4TSHR
SCHEMBL18419016 0.85 ALOX5 (0.69) ALOX5PTGS2ALDH1A1CYP3A4CA1
SCHEMBL18894018 0.84 ALOX5 (0.45) ALOX5PTGS2ALDH1A1CYP3A4TSHR
SCHEMBL31456038 0.84 ALOX5 (0.45) ALOX5PTGS2ALDH1A1CYP3A4TSHR
SCHEMBL4463386 0.84 MEN1 (0.48) ALOX5PTGS2ALDH1A1CYP3A4TSHR
SCHEMBL8800933 0.84 CYP3A4 (0.46) ALOX5PTGS2ALDH1A1CYP3A4TSHR
SCHEMBL12644492 0.83 AKR1B1 (0.56) ALOX5PTGS2ALDH1A1
SCHEMBL8798071 0.80 ALOX5 (0.47) ALOX5PTGS2ALDH1A1CYP3A4CA1
SCHEMBL30679916 0.80 ALOX5 (0.47) ALOX5PTGS2ALDH1A1CYP3A4CA1
SCHEMBL8797591 0.80 ALOX5 (0.47) ALOX5PTGS2ALDH1A1CYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524948-A 3D supramolecular material with various coordination configurations and preparation method and application thereof 广州大学 2022-05-24 — — CN claimed
CN-114524948-A 3D supramolecular material with various coordination configurations and preparation method and application thereof 广州大学 2022-05-24 — — CN disclosed
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 — — US disclosed
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 — — US disclosed
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 — — US disclosed
EP-2280699-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-02-09 — — EP disclosed
EP-1618102-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2010-02-10 — — EP disclosed
EP-1618102-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2010-02-10 — — EP disclosed
WO-2009124968-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-15 — — WO disclosed
WO-2009124968-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-15 — — WO disclosed
US-20030083341-A1 2,3,5-Substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2003-05-01 — — US disclosed
US-6451827-B2 MODULATING BLOOD GLUCOSE CONCENTRATION WYETH 2002-09-17 — — US disclosed
US-20010018525-A1 2, 3, 5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2001-08-30 — — US disclosed
US-6214877-B1 ANTIDIABETIC AGENTS; MODULATOR OF GLUCOSE CONCENTRATION WYETH 2001-04-10 — — US disclosed
EP-1077929-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 — — EP disclosed
WO-1999061410-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 — — WO disclosed
US-4822804-A 5,6,7,-trinor-4,8-inter-m-phenylene 2-nor PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1989-04-18 — — US disclosed
US-4564620-A 5,6,7,-Trinor-4,8-inter-m-phenylene PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1986-01-14 — — US disclosed
EP-0060640-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1985-11-13 — — EP disclosed
EP-0060640-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1982-09-22 — — 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-20030083341-A1 2,3,5-Substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 ALOX5 3734/4885PTGS2 3889/4885ALDH1A1 3544/4885
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR2, ESR1, ESRRA ALOX5 2279/4885PTGS2 2822/4885ALDH1A1 958/4885
US-20010018525-A1 2, 3, 5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 ALOX5 3734/4885PTGS2 3895/4885ALDH1A1 3544/4885

“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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