SCHEMBL5645671

SCHEMBL5645671

CCCC[CH]N(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL5647967 0.92 TSHR (0.39) TSHRALDH1A1
SCHEMBL29617180 0.75 TSHR (0.35) TSHRALDH1A1
SCHEMBL29617181 0.75 TSHR (0.35) TSHRALDH1A1
SCHEMBL9641014 0.73 MEN1 (0.37) TSHRALDH1A1LMNA
SCHEMBL1447918 0.71
SCHEMBL3246343 0.70 TSHR (0.35) TSHRALDH1A1
SCHEMBL646922 0.69
SCHEMBL29617173 0.69 FAAH (0.41) TSHRALDH1A1
SCHEMBL14892418 0.69 SPHK1 (0.33) TSHRALDH1A1
SCHEMBL29617152 0.67 FAAH (0.45) LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102295642-B 2-Aryimidazole is [1,2-a] pyridine-3-acetamide, Preparation Method And The Use also Institute of Toxicology and Drugs, Chinese Academy of Military Medical Sciences (CN) 2016-04-06 CN disclosed
CN-102295642-A 2-aryl imidazo [1,2-a] pyridine-3-acetamide derivative and preparation method as well as application thereof 2011-12-28 CN disclosed
US-7276600-B2 Phthalocyanine derivatives and their applications in optical recording media TSAI YEN CHENG 2007-10-02 US disclosed
US-20060292494-A1 Novel phthalocyanine derivatives, synthetic process thereof and their applications in optical recording media TSAI YEN C 2006-12-28 US disclosed
US-20060281026-A1 Phthalocyanine derivatives and their applications in optical recording media TSAI YEN C 2006-12-14 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 (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-20060292494-A1 Novel phthalocyanine derivatives, synthetic process thereof and their applications in optical recording media TRPC3, TRPA1, TRPC6 TSHR 2593/4885ALDH1A1 883/4885LMNA 1137/4885
US-20060281026-A1 Phthalocyanine derivatives and their applications in optical recording media CRY2, CACNA1C, CRY1 TSHR 3982/4885ALDH1A1 1066/4885LMNA 374/4885

“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.