SCHEMBL8238232

SCHEMBL8238232

Cc1cccc(C)c1OCC(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 10/20 0.70
LMNA P02545 4/20 0.70
CYP2D6 P10635 3/20 0.70
SCN1A P35498 2/20 0.70
SCN5A Q14524 2/20 0.70
SCN9A Q15858 2/20 0.70
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
NFKB1 P19838 2/20 0.70
TSHR P16473 2/20 0.70
SCN8A Q9UQD0 2/20 0.70
CYP2C9 P11712 1/20 0.70
KCNK3 O14649 1/20 0.70
CACNA1F O60840 1/20 0.70
KCNK2 O95069 1/20 0.70
GBA1 P04062 1/20 0.70
MAOA P21397 1/20 0.70
HTR2A P28223 1/20 0.70
SLC6A4 P31645 1/20 0.70
HTR2B P41595 1/20 0.70

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
SCHEMBL15241352 0.86 SCN4A (0.78) SCN4ALMNACYP2D6SCN1ASCN5A
SCHEMBL16473759 0.86 SCN4A (0.55) SCN4ALMNACYP2D6SCN1ASCN5A
SCHEMBL29707444 0.86 SCN4A (0.52) SCN4ALMNACYP2D6SCN1ASCN5A
SCHEMBL16479209 0.85 SCN4A (0.53) SCN4ALMNACYP2D6SCN1ASCN5A
SCHEMBL12902764 0.83 SCN4A (0.51) SCN4ALMNACYP2D6SCN1ASCN5A
SCHEMBL23079027 0.83 SCN4A (0.66) SCN4ALMNACYP2D6SCN1ASCN5A
SCHEMBL7701472 0.83 SCN4A (0.66) SCN4ALMNACYP2D6SCN1ASCN5A
SCHEMBL10256513 0.83 SCN4A (0.66) SCN4ALMNACYP2D6SCN1ASCN5A
SCHEMBL7245918 0.83 SCN4A (0.66) SCN4ALMNACYP2D6SCN1ASCN5A
SCHEMBL7701144 0.83 SCN4A (0.66) SCN4ALMNACYP2D6SCN1ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673855-B2 Voltage gated sodium channel imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2023-06-13 US disclosed
US-11529343-B2 Compositions and methods for identifying and treating dystonia disorders DUKE UNIVERSITY (US) 2022-12-20 US disclosed
US-20210069175-A1 Compositions and Methods for Identifying and Treating Dystonia Disorders DUKE UNIVERSITY (US) 2021-03-11 US disclosed
CN-101578344-B Adhesive composition for optical waveguide, adhesive film for optical waveguide and adhesive sheet for optical waveguide using same, and optical device using same HITACHI CHEMICAL CO LTD 2013-07-10 CN disclosed
US-20120196933-A1 MEXILETINE PRODRUGS FRANKLIN RICHARD (GB) 2012-08-02 US disclosed
US-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 US disclosed
US-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 US disclosed
US-7838533-B2 Azaindole inhibitors of MTP and ApoB MERCK PATENT GMBH (DE) 2010-11-23 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
CN-101578344-A Adhesive composition for optical waveguide, adhesive film for optical waveguide and adhesive sheet for optical waveguide using same, and optical device using same HITACHI CHEMICAL CO LTD (JP) 2009-11-11 CN disclosed
US-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
EP-1771446-B1 AZAINDOLE INHIBITORS OF MTP AND APOB MERCK PATENT GMBH (DE) 2008-06-11 EP disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
WO-2007002172-A2 HIV-1 PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2007-01-04 WO disclosed
WO-2007002173-A1 HIV-1 PROTEASE INHIBITORS, AND METHODS OF MAKING AND USING THEM UNIVERSITY OF MASSACHUSETTS (US) 2007-01-04 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 (7 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-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob APOB, MTPN, HDLBP SCN4A 4389/4885LMNA 1279/4885CYP2D6 1163/4885
US-20110178092-A1 HIV-1 Protease Inhibitors SERPINB1, PRSS1, TMPRSS4 SCN4A 4565/4885LMNA 2776/4885CYP2D6 3685/4885
US-20120196933-A1 MEXILETINE PRODRUGS SLC16A1, MTPN, SLC16A3 SCN4A 88/4885LMNA 311/4885CYP2D6 63/4885
US-11529343-B2 Compositions and methods for identifying and treating dystonia disorders DDHD2, SMN1; SMN2, MYO3B SCN4A 635/4885LMNA 2037/4885CYP2D6 2981/4885
US-11673855-B2 Voltage gated sodium channel imaging agents CACNA1B, CACNA1G, CACNA1I SCN4A 73/4885LMNA 959/4885CYP2D6 3837/4885
US-20210069175-A1 Compositions and Methods for Identifying and Treating Dystonia Disorders DDHD2, SMN1; SMN2, MYO3B SCN4A 635/4885LMNA 2037/4885CYP2D6 2981/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 SCN4A 4308/4885LMNA 2720/4885CYP2D6 4036/4885

“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.