SCHEMBL4677170

SCHEMBL4677170

c1ccc(COCC2CCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSK P43235 1/20 0.54
NAAA Q02083 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL2701945 0.98 CTSL (0.53) TSHRCTSLCTSBCTSKNAAA
Hydrochloric Acid SCHEMBL30384626 0.96 CTSL (0.51) TSHRCTSLCTSBCTSKNAAA
SCHEMBL6649338 0.96 TSHR (0.54) TSHRCTSLCTSBCTSKNAAA
SCHEMBL17019782 0.92 TSHR (0.58) TSHRCTSLCTSBCTSKNAAA
SCHEMBL1928095 0.92 TSHR (0.58) TSHRCTSLCTSBCTSKNAAA
SCHEMBL23536377 0.88 AGTR2 (0.47) CTSLCTSBCTSK
SCHEMBL6748142 0.85 CTSL (0.51) TSHRCTSLCTSBCTSKNAAA
SCHEMBL2649981 0.84 ALDH1A1 (0.45) TSHRCTSLCTSBCTSKNAAA
SCHEMBL2649979 0.84 ALDH1A1 (0.45) TSHRCTSLCTSBCTSKNAAA
SCHEMBL17043168 0.83 CTSL (0.50) TSHRCTSLCTSBCTSKNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220143231-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF JANSSEN BIOTECH, INC. 2022-05-12 US disclosed
EP-3344613-B1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2020-03-04 EP disclosed
US-9850214-B2 Inhibitors of NEDD8-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-20170240944-A1 Modified Cyanobacteria for Producing Carotenoids Lumen Bioscience, Inc. 2017-08-24 US disclosed
WO-2017039331-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-03-09 WO disclosed
EP-2433941-A1 Process for isolating the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one Bristol-Myers Squibb Company (US) 2012-03-28 EP disclosed
EP-0945448-B1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES (JP) 2008-11-26 EP disclosed
US-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP disclosed
US-6020496-A 5-alkoxy-2(3H)-oxazolone compounds and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
EP-0945448-A1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1999-09-29 EP 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 (1 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-20220143231-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF BDNF, CD47, MAG TSHR 1143/4885CTSL 612/4885CTSB 406/4885

“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.