SCHEMBL1590638

SCHEMBL1590638

COc1cccc([CH]c2cccc(OC)c2OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.61
CYP1A1 P04798 4/20 0.56
CYP1A2 P05177 4/20 0.56
CYP1B1 Q16678 3/20 0.56
PRMT1 Q99873 1/20 0.56
CYP19A1 P11511 1/20 0.56
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 1/20 0.47

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
SCHEMBL118591 0.86 NFE2L2 (0.79) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL3301377 0.86 NFE2L2 (0.72) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL1546324 0.84 NFE2L2 (0.59) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL2099078 0.84 CYP1A2 (0.77) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
O-Veratraldehyde SCHEMBL28289918 0.83 SRC (0.67) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL4642599 0.83 NFE2L2 (0.58) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
O-Veratraldehyde SCHEMBL29923149 0.83 SRC (0.67) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL57085 0.83 NFE2L2 (0.58) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL26603685 0.83 NFE2L2 (0.58) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL6632658 0.83 NFE2L2 (0.61) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1

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 72 patents — showing the first 20. 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
EP-0538194-B1 Bicyclic nucleosides, oligonucleotides, their method of preparation and intermediates therein CIBA GEIGY AG (CH) 1997-06-04 EP claimed
WO-1996006102-A1 PROCESS FOR THE PREPARATION OF OLIGOSACCHARIDE MIXTURES CIBA-GEIGY AG (CH) 1996-02-29 WO claimed
US-5393878-A Pyrimidine nucleosides having cyclopentafuran skeleton CIBA-GEIGY CORPORATION (US) 1995-02-28 US claimed
US-5332814-A Process for the preparation of carbacyclic nucleosides, and intermediates CIBA-GEIGY CORPORATION (US) 1994-07-26 US claimed
US-5319080-A Antiviral agents CIBA-GEIGY CORPORATION (US) 1994-06-07 US claimed
EP-0542681-A1 Process for the preparation of carbocyclic nucleosides and its intermediates CIBA-GEIGY AG (CH) 1993-05-19 EP claimed
EP-0538194-A1 Bicyclic nucleosides, oligonucleotides, their method of preparation and intermediates therein CIBA-GEIGY AG (CH) 1993-04-21 EP claimed
CN-110366556-B Antibacterial peptide macrocyclic compounds and uses thereof 豪夫迈·罗氏有限公司 2024-01-05 CN disclosed
CN-110494442-B Peptide macrocycles and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2023-07-25 CN disclosed
CN-114008065-A Glycyrrhetinic acid derivatives for treating hyperkalemia 阿德利克斯股份有限公司 2022-02-01 CN disclosed
EP-3921327-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR USE IN TREATING HYPERKALEMIA Ardelyx, Inc. (US) 2021-12-15 EP disclosed
WO-2020163642-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR USE IN TREATING HYPERKALEMIA ARDELYX, INC. (US) 2020-08-13 WO disclosed
EP-0577558-A2 Carbocyclic nucleosides having bicyclic rings, oligonucleotides therefrom, process for their preparation, their use and intermediates CIBA-GEIGY AG (CH) 1994-01-05 EP disclosed
US-5268464-A Process for the preparation of nucleosides CIBA-GEIGY CORPORATION (US) 1993-12-07 US disclosed
EP-0563010-A2 Method of preparation of nucleosides CIBA-GEIGY AG (CH) 1993-09-29 EP disclosed
EP-0542681-A1 Process for the preparation of carbocyclic nucleosides and its intermediates CIBA-GEIGY AG (CH) 1993-05-19 EP disclosed
EP-0538194-A1 Bicyclic nucleosides, oligonucleotides, their method of preparation and intermediates therein CIBA-GEIGY AG (CH) 1993-04-21 EP disclosed
US-4118561-A ANTIBACTERIAL, SYNERGISTIC, ANTI-CANCER ACTIVITY, ANTI-FOLIC ACID ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-03 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 (1 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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 NFE2L2 3063/4885CYP1A1 3819/4885CYP1A2 3803/4885

“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.