SCHEMBL319124

SCHEMBL319124

O=CCc1cc(F)cc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
DAO P14920 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ERN1 O75460 1/20 0.33
GSK3B P49841 1/20 0.33
BACE1 P56817 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
DBH P09172 1/20 0.31

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
SCHEMBL29953168 0.84 DAO (0.39) IDO1DAOERN1
SCHEMBL3403278 0.84 PGK1 (0.33) IDO1ERN1CYP4F2CYP4A11
SCHEMBL3396094 0.84 AKR1B1 (0.33) IDO1
SCHEMBL30536216 0.84 PGK1 (0.33) IDO1ERN1CYP4F2CYP4A11
SCHEMBL13224583 0.84 CA12 (0.50) IDO1CA12CA1CA9ERN1
SCHEMBL1160984 0.84 DAO (0.39) IDO1DAOERN1
SCHEMBL1295918 0.80 RXRA (0.41) IDO1CES2DAO
SCHEMBL13351468 0.79 BACE1 (0.34) BACE1
SCHEMBL3405876 0.79 CYP4F2 (0.42) CYP4F2CYP4A11
SCHEMBL23568677 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137968-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE CAPULUS THERAPEUTICS, LLC (US) 2024-06-27 WO disclosed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed
CN-116589454-A Aromatic heterocyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-08-15 CN disclosed
WO-2022012623-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-107936009-B Berberine derivative and application 中国医学科学院生物医学工程研究所 2020-05-15 CN disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
WO-2018106643-A1 HETEROCYCLIC AZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO disclosed
WO-2018106643-A1 HETEROCYCLIC AZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO disclosed
US-20050107341-A1 Phosphinic acids F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 US disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 WO disclosed
WO-2005000809-A1 SUBSTITUTED 3-ALKYL AND 3-ALKENYL AZETIDINE DERIVATIVES MERCK & CO., INC. (US) 2005-01-06 WO disclosed
US-6838455-B2 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-01-04 US disclosed
US-6797842-B2 BY ASYMMETRICALLY REDUCING AN OPTICALLY ACTIVE IMINE, USING A HYDRIDE REDUCING AGENT TO CONVERT TO AN OPTICALLY ACTIVE SECONDARY AMINE, WHICH THEN UNDERGOES HYDROGENOLYSIS; HIGH OPTICAL PURITY, SIMPLE, EFFICIENT CENTRAL GLASS COMPANY, LIMITED (JP) 2004-09-28 US disclosed
US-20030149022-A1 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds AUDIA JAMES E (US) 2003-08-07 US disclosed
US-6552013-B1 For therapy of Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-04-22 US disclosed
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same CENTRAL GLASS COMPANY, LIMITED (JP) 2002-08-01 US disclosed
US-6254941-B1 HIGH VOLTAGE HOLDING RATIO; LOW TEMPERATURE CHISSO CORPORATION (JP) 2001-07-03 US disclosed
EP-0950651-A1 FLUOROALKYLATED LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITIONS, AND LIQUID-CRYSTAL DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1999-10-20 EP 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 (3 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-20030149022-A1 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, IAPP, BACE1 IDO1 1050/4885CES2 2198/4885CES1 1638/4885
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same MAP2K5, MAP2K4, MAP2K1 IDO1 520/4885CES2 2291/4885CES1 984/4885
US-20050107341-A1 Phosphinic acids BACE1, PSEN1, PSEN2 IDO1 2370/4885CES2 1247/4885CES1 124/4885

“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.