SCHEMBL381944

SCHEMBL381944

CC1(P(C2CCCCC2)C2CCCCC2)C=CC=CC1c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
KDM1A O60341 2/20 0.30
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL620862 0.82 KDM4E (0.31)
SCHEMBL6386579 0.80 KDM1A (0.30) KDM1A
SCHEMBL6514980 0.75 KDM1A (0.32) KDM1AMAOAMAOB
SCHEMBL6510367 0.73 KDM1A (0.30) KDM1AMAOAMAOB
SCHEMBL3992251 0.69 KDM1A (0.36) TRPA1KDM1AMAOAMAOB
SCHEMBL852864 0.68 NPSR1 (0.31) NPSR1
SCHEMBL1153469 0.68 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL13818654 0.66 KDM1A (0.34) KDM1AMAOAMAOB
SCHEMBL11266183 0.66 KDM1A (0.34) KDM1AMAOAMAOB
SCHEMBL20017698 0.66 HTR2A (0.35) KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117881670-A Methods of making EGFR inhibitors 缆图药品公司 2024-04-12 CN claimed
US-7557248-B2 Method of forming a carbon-heteroatom bond RHODIA CHIMIE (FR) 2009-07-07 US claimed
US-20070243999-A1 Method of Forming a Carbon-Heteroatom Bond RHODIA CHIMIE (FR) 2007-10-18 US claimed
EP-1622861-A1 METHOD OF FORMING A CARBON-HETEROATOM BOND RHODIA CHIMIE (FR) 2006-02-08 EP claimed
WO-2005108338-A1 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-11-17 WO claimed
WO-2004101496-A1 METHOD OF FORMING A CARBON-HETEROATOM BOND RHODIA CHIMIE (FR) 2004-11-25 WO claimed
CN-117881670-A Methods of making EGFR inhibitors 缆图药品公司 2024-04-12 CN disclosed
CN-117425653-A Method for producing bipyridine derivative, method for producing macrocyclic compound, method for producing metal complex containing macrocyclic compound as ligand, metal complex, electrode for air battery, and air battery 住友化学株式会社 2024-01-19 CN disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
EP-4294814-A1 METAL COMPLEXES HAVING 4-H, 6-H OR 8-H DIHYDROAZULENYL LIGANDS AND USE THEREOF Umicore AG & Co. KG (DE) 2023-12-27 EP disclosed
CN-117279909-A Novel liver selective polyadenylation polymerase inhibitors and methods of use thereof 巴鲁克斯布伦博格研究所 2023-12-22 CN disclosed
CN-117280489-A Positive electrode mixture, positive electrode, and secondary battery 大金工业株式会社 2023-12-22 CN disclosed
CN-117255779-A Bisdiaminophenyl compound, crosslinking agent, composition and molded article 大金工业株式会社 2023-12-19 CN disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2011089985-A1 COSMETIC COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2011-07-28 WO disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed
US-7557248-B2 Method of forming a carbon-heteroatom bond RHODIA CHIMIE (FR) 2009-07-07 US disclosed
US-20070243999-A1 Method of Forming a Carbon-Heteroatom Bond RHODIA CHIMIE (FR) 2007-10-18 US disclosed
EP-1622861-A1 METHOD OF FORMING A CARBON-HETEROATOM BOND RHODIA CHIMIE (FR) 2006-02-08 EP disclosed
WO-2004101496-A1 METHOD OF FORMING A CARBON-HETEROATOM BOND RHODIA CHIMIE (FR) 2004-11-25 WO 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 (2 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO TRPA1 293/4885KDM1A 1511/4885MAOA 1937/4885
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA TRPA1 4481/4885KDM1A 2291/4885MAOA 187/4885

“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.