SCHEMBL1781286

SCHEMBL1781286

CC(=O)CCCC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
PAOX Q6QHF9 5/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 1/20 0.39
SLC15A2 Q16348 1/20 0.39
GAA P10253 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL1784240 0.92 PAOX (0.48) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL9386368 0.90 PAOX (0.52) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL26042660 0.90 PAOX (0.52) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL8898949 0.90 PAOX (0.52) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL1785870 0.90 PAOX (0.52) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL5819774 0.90 PAOX (0.52) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL681141 0.82
SCHEMBL8733126 0.82 TSHR (0.50) ALDH1A1PAOXLMNASLC15A2TDP1
SCHEMBL11236803 0.81 ALDH1A1 (0.45) ALDH1A1PAOXACHELMNASLC15A2
SCHEMBL15457453 0.80 MAPT (0.37) ALDH1A1TDP1FFAR1CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
CN-117534552-A Method for coproducing diisobutyl ketone from methyl isobutyl ketone 万华化学集团股份有限公司 2024-02-09 CN disclosed
CN-117500783-A Perfume compounds 奇华顿股份有限公司 2024-02-02 CN disclosed
CN-117480236-A Perfume for improving state of agitation and evaluation method 奇华顿股份有限公司 2024-01-30 CN disclosed
CN-117396591-A Fragrance and evaluation method for improving happy state 奇华顿股份有限公司 2024-01-12 CN disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
CN-102015631-A Substituted octane (ene) nitriles, process for their synthesis and their use in fragrance making processes MANE FILS V 2011-04-13 CN disclosed
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 US disclosed
US-7842842-B1 Hydro-alkoxyl citronellal compounds—synthetic routes, compositions and uses thereof SAMI LABS LTD. (IN) 2010-11-30 US disclosed
US-20090311401-A1 Neo-Menthyl Derivatives as Flavor Materials SYMRISE GMBH & CO. KG (DE) 2009-12-17 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
CN-101360777-A Prepregs and cured in place solid surfaces prepared therefrom ASHLAND LICENSING & INTELLECTU (US) 2009-02-04 CN disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 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 (9 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 ALDH1A1 520/4885PAOX 2315/4885ACHE 1079/4885
US-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 ALDH1A1 1604/4885PAOX 4599/4885ACHE 887/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885PAOX 686/4885ACHE 644/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ALDH1A1 2338/4885PAOX 870/4885ACHE 3216/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 ALDH1A1 326/4885PAOX 135/4885ACHE 3531/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 ALDH1A1 1287/4885PAOX 2868/4885ACHE 3754/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885PAOX 686/4885ACHE 644/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP ALDH1A1 4861/4885PAOX 3725/4885ACHE 3813/4885
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 ALDH1A1 3041/4885PAOX 584/4885ACHE 4848/4885

“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.