SCHEMBL83495

SCHEMBL83495

COc1ccc(Cc2ccccc2)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.80
LTA4H P09960 2/20 0.60
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.57
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
ATM Q13315 2/20 0.55
POLB P06746 2/20 0.55
ABCB1 P08183 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TTR P02766 1/20 0.53
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
LDHA P00338 1/20 0.51
EBP Q15125 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
TMEM97 Q5BJF2 1/20 0.51

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
Ammonia Solution, Strong SCHEMBL4861530 0.98 CA2 (0.77) CA2LTA4HLMNASMN1; SMN2MAPT
SCHEMBL2095593 0.89 CA2 (1.00) CA2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL29449205 0.85 CA2 (0.91) CA2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL28164756 0.85 CA2 (0.91) CA2LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL14769223 0.85 CA2 (0.57) CA2LTA4HLMNASMN1; SMN2MAPT
SCHEMBL9450898 0.85 CA2 (0.57) CA2LTA4HSMN1; SMN2ALDH1A1GAA
SCHEMBL2090122 0.85 CA2 (0.57) CA2LTA4HALDH1A1GAA
SCHEMBL8604705 0.84 CYP19A1 (0.70) CA2ALDH1A1ATMPOLBABCB1
SCHEMBL30173445 0.84 CYP19A1 (0.70) CA2ALDH1A1ATMPOLBABCB1
SCHEMBL11282921 0.83 CA2 (0.71) CA2LMNAALDH1A1GAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
CN-112321804-B Preparation of catechol-derived porous polymer and photocatalytic application of catechol-derived porous polymer in loading of high-spin monoatomic iron 北京深云智合科技有限公司 2022-04-12 CN disclosed
CN-113333021-A Porous polymer supported palladium catalyst with high catalytic activity and application thereof in catalyzing Suzuki-Miyaura reaction 贵研铂业股份有限公司 2021-09-03 CN disclosed
CN-112321804-A Preparation of catechol-derived porous polymer and photocatalytic application of catechol-derived porous polymer in loading of high-spin monoatomic iron 北京航空航天大学 2021-02-05 CN disclosed
CN-107624112-A Small molecule inhibitors of lactate dehydrogenase and methods of use thereof 美国政府健康及人类服务部 2018-01-23 CN disclosed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 US disclosed
WO-2011046920-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2011-04-21 WO disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-7652144-B2 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2010-01-26 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US disclosed
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2008-06-05 US disclosed
US-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-09-13 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 (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-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRA, EDNRB, NPSR1 CA2 4094/4885LTA4H 3459/4885LMNA 1883/4885
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY DDX18, FPR1, DCXR CA2 3671/4885LTA4H 1430/4885LMNA 4225/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A CA2 1080/4885LTA4H 233/4885LMNA 4271/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A CA2 1080/4885LTA4H 233/4885LMNA 4271/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 CA2 121/4885LTA4H 1184/4885LMNA 936/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 CA2 165/4885LTA4H 1458/4885LMNA 1651/4885

“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.