Sugi Predict

Sugi Predict / Compounds / SCHEMBL644527

SCHEMBL644527

SCHEMBL644527

COc1ccccc1C=CC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 1.00
▸ NFE2L2 Q16236 2/20 0.77
▸ TFEB P19484 1/20 0.77
▸ MAPT P10636 6/20 0.68
▸ NPC1 O15118 3/20 0.68
▸ LMNA P02545 3/20 0.68
▸ RAB9A P51151 2/20 0.68
▸ BCHE P06276 1/20 0.68
▸ MAPK1 P28482 2/20 0.66
▸ ATM Q13315 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ LY96 Q9Y6Y9 1/20 0.64
▸ MAOB P27338 3/20 0.62
▸ AR P10275 1/20 0.62
▸ CYP1A2 P05177 3/20 0.60
▸ CYP2D6 P10635 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ CYP1A1 P04798 2/20 0.60
▸ CYP1B1 Q16678 2/20 0.60

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
SCHEMBL29372147 1.00 KDM4E (1.00) KDM4ENFE2L2TFEBMAPTNPC1
SCHEMBL644526 1.00 KDM4E (1.00) KDM4ENFE2L2TFEBMAPTNPC1
SCHEMBL29805195 0.87 NFE2L2 (1.00) KDM4ENFE2L2TFEBMAPTNPC1
SCHEMBL30307386 0.87 NFE2L2 (1.00) KDM4ENFE2L2TFEBMAPTNPC1
SCHEMBL16403662 0.87 NFE2L2 (1.00) KDM4ENFE2L2TFEBMAPTNPC1
SCHEMBL2744044 0.87 NFE2L2 (1.00) KDM4ENFE2L2TFEBMAPTNPC1
SCHEMBL2744047 0.87 NFE2L2 (1.00) KDM4ENFE2L2TFEBMAPTNPC1
Coumarinic Acid Methyl Ether SCHEMBL714857 0.85 NFE2L2 (0.77) KDM4ENFE2L2TFEBMAPTNPC1
Coumarinic Acid Methyl Ether SCHEMBL29369917 0.85 NFE2L2 (0.77) KDM4ENFE2L2TFEBMAPTNPC1
Coumarinic Acid Methyl Ether SCHEMBL79060 0.85 NFE2L2 (0.77) KDM4ENFE2L2TFEBMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3930849-B1 THIAZOLE DERIVATIVES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2025-02-19 — — EP disclosed
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 — — CN disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 — — US disclosed
CN-113993587-A Thiazole derivatives as protein secretion inhibitors 科智生命科学公司 2022-01-28 — — CN disclosed
CN-101717328-B New method for synthesizing raspberry ketone by using natural equivalent anisic aldehyde GUANGXI WANSHAN ANISE CO LTD 2014-09-24 — — CN disclosed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 — — US disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 — — EP disclosed
US-20120108630-A1 Hedgehog Pathway Antagonists and Methods of Use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-05-03 — — US disclosed
US-8119640-B2 Hedgehog pathway antagonists methods of use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-02-21 — — US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 — — US disclosed
WO-2009102864-A1 HEDGEHOG PATHWAY ANTAGONISTS AND METHODS OF USE STANFORD UNIVERSITY (US) 2009-08-20 — — WO disclosed
EP-2079747-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS Pfizer Limited (GB) 2009-07-22 — — EP disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 — — WO disclosed
US-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 — — US disclosed
WO-2008044127-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-04-17 — — WO disclosed
US-6177462-B1 Unsaturated oxime ethers and their use as fungicides and insecticides ROHM AND HAAS COMPANY 2001-01-23 — — US disclosed
EP-0936213-A1 Unsaturated oxime ethers and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1999-08-18 — — EP disclosed
EP-0004835-B1 ETHANOLAMINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR MEDICINAL USE Aktiebolaget DRACO (SE) 1981-10-14 — — EP disclosed
EP-0004835-A1 Ethanolamine compounds, processes for their preparation, pharmaceutical preparations containing them and their medicinal use Aktiebolaget DRACO (SE) 1979-10-17 — — EP disclosed
US-3989708-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 — — 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 (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-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 KDM4E 2835/4885NFE2L2 550/4885TFEB 1343/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G KDM4E 4710/4885NFE2L2 3664/4885TFEB 269/4885
US-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C KDM4E 4170/4885NFE2L2 326/4885TFEB 1247/4885
US-20120108630-A1 Hedgehog Pathway Antagonists and Methods of Use SHH, GLI1, SMO KDM4E 1642/4885NFE2L2 2728/4885TFEB 1132/4885

“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.