SCHEMBL179281

SCHEMBL179281

CC(C)(C)C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
EPHX1 P07099 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL14749886 0.89 CYP1A2 (0.36) CYP1A2CYP2D6EPHX1
SCHEMBL1104692 0.82
SCHEMBL1104700 0.82
SCHEMBL804429 0.82
SCHEMBL26940299 0.82 CYP1A2 (0.38) CYP1A2CYP2D6EPHX1
SCHEMBL16689109 0.81 PIK3CD (0.30) PIK3CD
SCHEMBL26513234 0.78 EPHX1 (0.40) CYP1A2CYP2D6EPHX1
SCHEMBL22570229 0.78 EPHX1 (0.40) CYP1A2CYP2D6EPHX1
SCHEMBL24310239 0.77
SCHEMBL55948 0.77 ALDH1A1 (0.46)

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 1673 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION ARTUS THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 US disclosed
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
US-7244735-B2 Heterocyclic protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INC. (US) 2007-07-17 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7227035-B2 Bis-aryl sulfonamides CHEMOCENTRYX (US) 2007-06-05 US disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 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 (12 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 CYP1A2 15/4885CYP2D6 37/4885EPHX1 255/4885
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 CYP1A2 3232/4885CYP2D6 4042/4885EPHX1 4067/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP1A2 603/4885CYP2D6 993/4885EPHX1 1130/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CYP1A2 4854/4885CYP2D6 4827/4885EPHX1 2619/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 CYP1A2 2006/4885CYP2D6 1631/4885EPHX1 1840/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD CYP1A2 1645/4885CYP2D6 2650/4885EPHX1 1074/4885
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION LIPG, FABP2, EPCAM CYP1A2 4754/4885CYP2D6 4869/4885EPHX1 256/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A CYP1A2 973/4885CYP2D6 865/4885EPHX1 4478/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A CYP1A2 391/4885CYP2D6 608/4885EPHX1 1463/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 CYP1A2 3456/4885CYP2D6 3877/4885EPHX1 1924/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CYP1A2 50/4885CYP2D6 33/4885EPHX1 778/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CYP1A2 1140/4885CYP2D6 1646/4885EPHX1 872/4885

“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.