SCHEMBL7096596

SCHEMBL7096596

CC(C)(C)[Si](Oc1ccc(O)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.46
ESR1 P03372 5/20 0.46
LTA4H P09960 2/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.34

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
SCHEMBL704145 0.87 CA4 (0.37) ESR2ESR1LTA4HALDH1A1CA4
SCHEMBL27600931 0.84 CA4 (0.46) LTA4HALDH1A1CYP3A4LMNACYP1A2
SCHEMBL7092637 0.83 CYP3A4 (0.42) ESR2ESR1ALDH1A1CYP3A4LMNA
SCHEMBL9270393 0.83 DGAT1 (0.38)
SCHEMBL7424773 0.82 MAOA (0.44) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL17233741 0.82 SMN1; SMN2 (0.46) ESR2ESR1ALDH1A1CYP3A4LMNA
SCHEMBL20594005 0.82
SCHEMBL6058734 0.82 ALDH1A1 (0.37) ALDH1A1LMNASLC6A2SLC6A3MEN1
SCHEMBL6698974 0.81 CA2 (0.49) CA1CA2CA4CA14
SCHEMBL12919164 0.81 CA1 (0.46) KMT2ACA1CA2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-6537994-B2 For therapy and prophylaxis of metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination WYETH 2003-03-25 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 US disclosed
US-6458817-B1 AROMATIC SUBSTITUTED SUFURE OR SULFOXIDE OR SULFONE DERIVATIVES CONTAINING SECONDAY AMINE AND HYDROXY GROUPS ARE USEFUL IN TREATNG METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN MAMMALS WYETH 2002-10-01 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020040023-A1 Substituted arylsulfides, arylsulfoxides and arylsulfones as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-04 US disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
US-20020022638-A1 Heterocyclic Beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 US disclosed
EP-0553107-B1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARM INC (US) 1999-09-29 EP disclosed
US-5955501-A DERIVED FROM PHORBOIDS OF THE DITERPENE- AND BENZOLACTAM-CLASSES. PROCYON PHARMACEUTICALS, INC. (US) 1999-09-21 US disclosed
US-5891870-A ANTIINFLAMMATORY AGENTS USING BENZODITERPENES AND BENZOLACTAMS PROCYON PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed
US-5891906-A Polyacetate-derived phorboids having anti-inflammatory and other uses PROCYON PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed
US-5886019-A REPLACEMENT OF HYDROXYMETHYL OR-ETHYL GROUP ON TRICYCLIC AROMATIC HETEROCYCLIC COMPOUNDS HAVING INDOLE, INDENE, BENZOFURAN OR BENZOTHIOPHENE SKELETON; ANTIINFLAMMATORY, ANTIVIRAL PROCYON PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed
US-5750568-A DITERPENE PHORBOIDS PROCYON PHARMACEUTICALS, INC. (US) 1998-05-12 US disclosed
US-5716968-A ANTIINFLAMMATORY AGENTS; VIRICIDE PROCYON PHARMACEUTICALS, INC. (US) 1998-02-10 US disclosed
US-5643948-A ANTIINFLAMMATORY, ANTICANCER PROCYON PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
EP-0553107-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARMACEUTICALS, INC. (US) 1993-08-04 EP disclosed
WO-1992002484-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY ALDER RESEARCH CENTER LIMITED PARTNERSHIP (US) 1992-02-20 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 (5 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ESR2 481/4885ESR1 2127/4885LTA4H 2156/4885
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 ESR2 119/4885ESR1 660/4885LTA4H 2418/4885
US-20020040023-A1 Substituted arylsulfides, arylsulfoxides and arylsulfones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, GPR119 ESR2 384/4885ESR1 1767/4885LTA4H 1841/4885
US-20020022638-A1 Heterocyclic Beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ESR2 507/4885ESR1 2009/4885LTA4H 2099/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ESR2 563/4885ESR1 1765/4885LTA4H 2327/4885

“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.