SCHEMBL3795346

SCHEMBL3795346

CC(C)c1cccc2ccoc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
SLC6A2 P23975 2/20 0.41
GABRB2 P47870 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL30701213 0.84 CYP1A2 (0.36) GABRA1CYP1A2CYP3A4GABRG2GABRB3
SCHEMBL26462986 0.84 MEN1 (0.36) CYP1A2CYP3A4SLC6A2MEN1NPC1
SCHEMBL16844552 0.84 CYP1A2 (0.36) GABRA1CYP1A2CYP3A4GABRG2GABRB3
SCHEMBL16855175 0.84 CYP1A2 (0.36) GABRA1CYP1A2CYP3A4GABRG2GABRB3
SCHEMBL20511633 0.84 CYP1A2 (0.41) CYP1A2CYP3A4SLC6A2LMNAMEN1
SCHEMBL24312374 0.84 MEN1 (0.36) CYP1A2CYP3A4SLC6A2MEN1NPC1
SCHEMBL3797966 0.81 TSHR (0.44) CYP1A2CYP3A4TSHRMEN1NPC1
SCHEMBL26864180 0.81 TSHR (0.44) CYP1A2CYP3A4TSHRMEN1NPC1
SCHEMBL8402802 0.77 MEN1 (0.35) CYP1A2CYP3A4MEN1NPC1CYP2D6
SCHEMBL20354322 0.76 GABRA1 (0.48) GABRA1GABRB2HTR2CEED

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-30 US disclosed
US-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-30 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
WO-2023158795-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (11 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-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF KDM5A, KDM5B, KDM5C GABRA1 4318/4885CYP1A2 575/4885CYP3A4 649/4885
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 GABRA1 3342/4885CYP1A2 4855/4885CYP3A4 4693/4885
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 GABRA1 2677/4885CYP1A2 4090/4885CYP3A4 4388/4885
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 GABRA1 1791/4885CYP1A2 3440/4885CYP3A4 3109/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A GABRA1 573/4885CYP1A2 4647/4885CYP3A4 4855/4885
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 GABRA1 989/4885CYP1A2 49/4885CYP3A4 465/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 GABRA1 1353/4885CYP1A2 3773/4885CYP3A4 3432/4885
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 GABRA1 790/4885CYP1A2 3940/4885CYP3A4 3586/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP GABRA1 764/4885CYP1A2 540/4885CYP3A4 1414/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS GABRA1 3975/4885CYP1A2 3478/4885CYP3A4 3711/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET GABRA1 2292/4885CYP1A2 269/4885CYP3A4 118/4885

“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.