SCHEMBL309330

SCHEMBL309330

CC(=O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.65
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 2/20 0.51
KIF11 P52732 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC3 O15379 1/20 0.50
KCNK9 Q9NPC2 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
ALDH1A1 P00352 1/20 0.47
CES2 O00748 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL14739826 0.89 ACHE (0.54) ACHERXRARXRBHDAC8HDAC6
SCHEMBL548539 0.86 ACHE (0.53) ACHEKIF11ALDH1A1CES2MEN1
SCHEMBL21132592 0.84 ACHE (0.56) ACHEKIF11ALDH1A1CES2MEN1
SCHEMBL6559598 0.84 KIF11 (0.51) ACHEKIF11ALDH1A1CES2MEN1
SCHEMBL179538 0.83 RXRA (0.66) ACHERXRARXRBHDAC8HDAC6
SCHEMBL7771557 0.83 ACHE (0.65) ACHERXRARXRBHDAC8HDAC6
SCHEMBL2173132 0.83 ACHE (0.65) ACHERXRARXRBHDAC8HDAC6
SCHEMBL16957957 0.83 ACHE (0.58) ACHERXRARXRBHDAC8HDAC6
SCHEMBL19987946 0.82 RXRA (0.64) ACHERXRARXRBHDAC8HDAC6
SCHEMBL1360237 0.82 ACHE (0.62) ACHERXRARXRBHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720037-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
EP-4720036-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
WO-2024243692-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2024-12-05 WO disclosed
EP-4470537-A1 COMPOUND FOR USE IN TREATING FIBRODYSPLASIA OSSIFICANS PROGRESSIVA (FOP) Queen's University At Kingston (CA) 2024-12-04 EP disclosed
EP-4470536-A1 COMPOUND FOR USE IN TREATING FIBRODYSPLASIA OSSIFICANS PROGRESSIVA (FOP) Queen's University At Kingston (CA) 2024-12-04 EP disclosed
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF FORESEE PHARMACEUTICALS USA, INC. 2024-01-18 US disclosed
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-12-05 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230355617-A1 SMALL MOLECULE INHIBITORS OF LEMUR TYROSINE KINASE 3 THE UNIVERSITY OF SUSSEX (GB) 2023-11-09 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
WO-2005121106-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2005-12-22 WO disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 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 (10 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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD ACHE 751/4885RXRA 2422/4885RXRB 2935/4885
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators SQSTM1, HSPA5, ATG7 ACHE 4678/4885RXRA 2887/4885RXRB 2738/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ACHE 414/4885RXRA 4803/4885RXRB 4806/4885
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF MMP12, MMP1, MMP11 ACHE 1173/4885RXRA 2658/4885RXRB 2627/4885
US-20230355617-A1 SMALL MOLECULE INHIBITORS OF LEMUR TYROSINE KINASE 3 LMTK3, LMTK2, LIMK1 ACHE 4573/4885RXRA 4521/4885RXRB 4144/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 ACHE 814/4885RXRA 494/4885RXRB 350/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 ACHE 965/4885RXRA 4342/4885RXRB 4122/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ACHE 414/4885RXRA 4803/4885RXRB 4806/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ACHE 3695/4885RXRA 503/4885RXRB 244/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ACHE 4793/4885RXRA 215/4885RXRB 220/4885

“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.