SCHEMBL84442

SCHEMBL84442

CC(C)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
GABRB2 P47870 2/20 0.50
CYP3A4 P08684 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
FAAH O00519 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL31852251 1.00 GABRA1 (0.50) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL15903486 0.83 ACHE (0.43) GABRA1GABRB2CYP3A4ACHEIDO1
SCHEMBL9263390 0.80 GABRA1 (0.43) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL21216509 0.79 ACHE (0.40) GABRA1GABRB2CYP3A4HIF1AACHE
SCHEMBL23139487 0.79 PDE2A (0.48) CYP3A4LMNACYP1A2HIF1AACHE
SCHEMBL24988976 0.79 ACHE (0.40) GABRA1GABRB2CYP3A4HIF1AACHE
SCHEMBL21670120 0.79 ACHE (0.40) GABRA1GABRB2CYP3A4HIF1AACHE
SCHEMBL20809861 0.79 ACHE (0.40) GABRA1GABRB2CYP3A4HIF1AACHE
SCHEMBL20809865 0.79 ACHE (0.40) GABRA1GABRB2CYP3A4HIF1AACHE
SCHEMBL1004400 0.79 ACHE (0.40) GABRA1GABRB2CYP3A4HIF1AACHE

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 1941 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343695-A1 Lysophosphatidic Acid Receptor 1 Antagonists as Migrastatics for Cancer LAKEHEAD UNIVERSITY (CA) 2024-10-17 US claimed
US-20240317709-A1 Lysophosphatidic Acid Receptor Antagonists for Breast Cancer Treatment UNIV LAKEHEAD (CA) 2024-09-26 US claimed
CN-110192294-A LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME 株式会社LG化学 2019-08-30 CN claimed
US-20240343695-A1 Lysophosphatidic Acid Receptor 1 Antagonists as Migrastatics for Cancer LAKEHEAD UNIVERSITY (CA) 2024-10-17 US disclosed
US-20240317709-A1 Lysophosphatidic Acid Receptor Antagonists for Breast Cancer Treatment UNIV LAKEHEAD (CA) 2024-09-26 US disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 US disclosed
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 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
EP-0701546-B1 AROMATIC ACETYLCHOLINESTERASE INHIBITORS MERRELL PHARMA INC (US) 1998-12-23 EP disclosed
US-5663448-A Aromatic acetylcholinesterase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1997-09-02 US disclosed
CN-1124953-A Aromatic acetylcholinesterase inhibitors MERRELL DOW PHARMA (US) 1996-06-19 CN disclosed
EP-0701546-A1 AROMATIC ACETYLCHOLINESTERASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1996-03-20 EP disclosed
EP-0693287-A1 RNA cleaving or binding oligonucleotides HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-24 EP disclosed
WO-1994029255-A1 AROMATIC ACETYLCHOLINESTERASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1994-12-22 WO disclosed
EP-0627400-A1 Aromatic acetylcholinesterase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1994-12-07 EP disclosed
EP-0239643-B1 PROCESS FOR OXIDIZING 2,6-DIISOPROPYLNAPHTHALENE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-08-21 EP disclosed
US-4996372-A In a basic aqueous solution, then acid cleaving in the presence of hydrogen peroxide MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-02-26 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 (5 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 GABRA1 1476/4885GABRB2 1879/4885CYP3A4 4464/4885
US-20240317709-A1 Lysophosphatidic Acid Receptor Antagonists for Breast Cancer Treatment LPAR3, LPAR1, LPAR4 GABRA1 1101/4885GABRB2 2572/4885CYP3A4 4357/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 GABRA1 3723/4885GABRB2 2660/4885CYP3A4 3282/4885
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 GABRA1 3352/4885GABRB2 2810/4885CYP3A4 644/4885
US-20240343695-A1 Lysophosphatidic Acid Receptor 1 Antagonists as Migrastatics for Cancer LPAR1, LPAR3, LPAR4 GABRA1 1783/4885GABRB2 2861/4885CYP3A4 4237/4885

“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.