SCHEMBL147753

SCHEMBL147753

CCOc1c(C)cccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 10/20 0.54
LMNA P02545 2/20 0.54
SCN1A P35498 2/20 0.54
SCN5A Q14524 2/20 0.54
SCN9A Q15858 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
NFKB1 P19838 2/20 0.54
TSHR P16473 2/20 0.54
SCN8A Q9UQD0 2/20 0.54
CYP2C9 P11712 1/20 0.54
KCNK3 O14649 1/20 0.54
CACNA1F O60840 1/20 0.54
KCNK2 O95069 1/20 0.54
GBA1 P04062 1/20 0.54
MAOA P21397 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL30254552 0.87 SCN4A (0.44) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL2522911 0.86 ALDH1A1 (0.47) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL19122139 0.84 SCN4A (0.46) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL8072909 0.84 ALDH1A1 (0.49) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL16950837 0.84 SCN4A (0.41) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL23146537 0.84 ALDH1A1 (0.50) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL16954557 0.84 MAPT (0.44) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL16954269 0.84 ALDH1A1 (0.44) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL12129099 0.84 KDM4E (0.62) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL16952456 0.84 SCN4A (0.41) SCN4ALMNASCN1ASCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130204037-A1 Catalytic alkylation of alcohols to liquid ethers and organic compounds to alkylated products CARTER TECHNOLOGIES (US) 2013-08-08 US claimed
US-8426115-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-23 US claimed
US-20110033803-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-10 US claimed
US-20100159392-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-24 US claimed
US-11877506-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2024-01-16 US disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-20220037591-A1 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-03 US disclosed
CN-107072900-B High coverage, low odor malodor counteracting compounds and methods of use 国际香料和香精公司 2020-03-20 CN disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed
US-10549006-B2 High-coverage, low odor malodor counteractant compounds and methods of use INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2020-02-04 US disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
WO-2019186522-A1 AN IMPROVED PROCESS FOR PREPARATION OF LOPINAVIR AND ITS INTERMEDIATES THEREOF LAURUS LABS LIMITED (IN) 2019-10-03 WO disclosed
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells THE ROCKEFELLER UNIVERSITY (US) 2007-10-11 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-7244752-B2 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-17 US disclosed
US-20070135447-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication SURLERAUX DOMINIQUE LOUIS N G 2007-06-14 US disclosed
US-20070135447-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication SURLERAUX DOMINIQUE LOUIS N G 2007-06-14 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
WO-2003053435-A1 BROADSPECTRUM HETEROCYCLIC SUBSTITUTED PHENYL CONTAINING SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD (IE) 2003-07-03 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 (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-11877506-B2 Polycyclic aromatic compound F11, C1R, RNF31 SCN4A 2579/4885LMNA 692/4885SCN1A 638/4885
US-20220037591-A1 Polycyclic aromatic compound F11, C1R, RNF31 SCN4A 2579/4885LMNA 692/4885SCN1A 638/4885
US-20070135447-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication NR0B1, NR0B2, NR2C2 SCN4A 2165/4885LMNA 2725/4885SCN1A 1372/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 SCN4A 4308/4885LMNA 2720/4885SCN1A 4473/4885
US-10549006-B2 High-coverage, low odor malodor counteractant compounds and methods of use LPO, OR51E2, OR10J3 SCN4A 1115/4885LMNA 4802/4885SCN1A 1906/4885
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells CD69, KLRK1, PBK SCN4A 2772/4885LMNA 3257/4885SCN1A 3943/4885

“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.