SCHEMBL3301377

SCHEMBL3301377

COc1cccc([CH]c2ccccc2)c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.72
TRPA1 O75762 1/20 0.55
CYP1A1 P04798 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP1B1 Q16678 3/20 0.53
CYP19A1 P11511 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.49
PRMT1 Q99873 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49

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
SCHEMBL1590638 0.86 NFE2L2 (0.61) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL3241394 0.84 NFE2L2 (0.68) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL1603723 0.84 NFE2L2 (1.00) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL5500710 0.84 NFE2L2 (1.00) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL9185706 0.81 CYP1A1 (0.74) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL118591 0.78 NFE2L2 (0.79) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
Phenol SCHEMBL16930394 0.77 NFE2L2 (0.85) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL615385 0.77 NFE2L2 (0.77) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL8923377 0.76 NFE2L2 (0.52) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL1546324 0.76 NFE2L2 (0.59) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1

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
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
JP-5331185-A None JP 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
EP-1504049-B1 MONOMERS CONTAINING POLYOXYALKYLENES AND POLYMER SUPPORTS THEREFROM NITTO DENKO AVECIA INC (US) 2013-05-22 EP disclosed
EP-1501851-B1 PROCESS FOR PREPARING OLIGONUCLEOTIDES NITTO DENKO AVECIA INC (US) 2013-02-13 EP 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-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-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-7476709-B2 Process for preparing oligonucleotides AVECIA BIOTECHNOLOGY INC. (US) 2009-01-13 US disclosed
US-7365132-B2 Monomers containing polyoxyalkylenes and polymer supports therefrom AVECIA BIOTECHNOLOGY INC. (US) 2008-04-29 US disclosed
US-20060036028-A1 Process for preparing oligonucleotides NITTO DENKO AVECIA, INC. 2006-02-16 US disclosed
US-20050256283-A1 Monomers containing polyoxyalkylenes and polymer supports therefrom NITTO DENKO AVECIA, INC. 2005-11-17 US disclosed
JP-H05331185-A 3'-END-LABELFOR NUCLEIC ACID RNA NIPPON MILLIPORE KOGYO KK 1993-12-14 JP 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-20060036028-A1 Process for preparing oligonucleotides RTCB, POLRMT, POLM NFE2L2 1641/4885TRPA1 4654/4885CYP1A1 2742/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 NFE2L2 3063/4885TRPA1 66/4885CYP1A1 3819/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 NFE2L2 3204/4885TRPA1 52/4885CYP1A1 3156/4885

“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.