SCHEMBL3607576

SCHEMBL3607576

COc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
NFE2L2 Q16236 1/20 0.64
ESR2 Q92731 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
PTGS1 P23219 1/20 0.53
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL7024215 0.92
SCHEMBL8298 0.92
SCHEMBL19660767 0.87 MAPT (0.68) NPC1RAB9ANFE2L2ESR2MAOB
SCHEMBL18390947 0.87 NPC1 (0.53) NPC1RAB9ANFE2L2ESR2CA12
SCHEMBL197522 0.86 CA1 (0.79) NPC1RAB9AESR2CA12CA1
SCHEMBL6733562 0.86 CA1 (0.79) NPC1RAB9AESR2CA12CA1
SCHEMBL9151672 0.86 CA1 (0.79) NPC1RAB9AESR2CA12CA1
SCHEMBL5175480 0.84 NFE2L2 (0.64) NPC1RAB9ANFE2L2CA12CA1
SCHEMBL10800839 0.84 ABL1 (0.50) NPC1RAB9ANFE2L2TP53MAPK1
SCHEMBL2833469 0.83 NPC1 (0.57) NPC1RAB9ANFE2L2ESR2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 US claimed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US claimed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US claimed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US claimed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US claimed
CN-118834121-A Method for preparing biaryl compound by cross-coupling of diazonium salt and aryl bromide under nickel catalysis 浙江工业大学 2024-10-25 CN disclosed
CN-117986097-B Novel method for Suzuki coupling based on photocatalysis 科莱博(江苏)科技股份有限公司 2024-07-19 CN disclosed
CN-118324596-A Synthesis method of biaryl compound 新疆大学 2024-07-12 CN disclosed
US-20240218002-A1 PHOSPHINE-UREA LIGANDS FOR TRANSITION METAL CATALYZED CROSS-COUPLING REACTIONS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2024-07-04 US disclosed
US-20240149262-A1 Immobilization of Molecular Catalysts on Solid Powders via Vapor Deposition of Encapsulating Nano-Layers for Use as Heterogeneous Chemical Catalysts UNIVERSITY OF SOUTH CAROLINA 2024-05-09 US disclosed
CN-117986097-A Novel method for Suzuki coupling based on photocatalysis 科莱博(江苏)科技股份有限公司 2024-05-07 CN disclosed
US-11697695-B2 Polymerizable composition and optically anisotropic body using same DIC CORPORATION (JP) 2023-07-11 US disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
US-20040254066-A1 Dissolving or dispersion forming emulsion; transition metal catalyst encapsulated within a permeable polymer; catalyst for foirming polyol from olefin REAXA LIMITED (GB) 2004-12-16 US disclosed
EP-1409125-A1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF Avecia Limited (GB) 2004-04-21 EP disclosed
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
WO-2003006151-A1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF AVECIA LIMITED (GB) 2003-01-23 WO disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 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 (4 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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 NPC1 1484/4885RAB9A 1378/4885NFE2L2 224/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 NPC1 4728/4885RAB9A 1437/4885NFE2L2 4193/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 NPC1 4728/4885RAB9A 1437/4885NFE2L2 4193/4885
US-20240218002-A1 PHOSPHINE-UREA LIGANDS FOR TRANSITION METAL CATALYZED CROSS-COUPLING REACTIONS NUDC, NPM1, PNP NPC1 3078/4885RAB9A 1277/4885NFE2L2 2192/4885

“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.