SCHEMBL5343541

SCHEMBL5343541

CCC1(C)CC(OC(=O)/C=C/C(=O)OC)C(C)C(C)(CC)N1OC(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
MAPT P10636 3/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
LMNA P02545 2/20 0.31
MDM4 O15151 1/20 0.31
MDM2 Q00987 1/20 0.31
CYP3A4 P08684 3/20 0.31
TSHR P16473 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL5343544 1.00 HCAR2 (0.35) HCAR2MAPTPOLBNPSR1ALDH1A1
SCHEMBL14590795 0.93 HCAR2 (0.43) HCAR2POLBNPSR1CTSVCTSL
SCHEMBL5344406 0.93 HCAR2 (0.43) HCAR2POLBNPSR1CTSVCTSL
SCHEMBL5340543 0.89 CYP3A4 (0.34) MAPTPOLBNPSR1ALDH1A1CTSV
SCHEMBL14590801 0.89 HCAR2 (0.32) HCAR2CTSVCTSLCTSBCTSS
SCHEMBL14590794 0.87 KMT2A (0.34) MAPTPOLBNPSR1ALDH1A1CTSV
SCHEMBL5340961 0.86 HCAR2 (0.33) HCAR2MAPTALDH1A1HTTLMNA
SCHEMBL5340967 0.86 HCAR2 (0.33) HCAR2MAPTALDH1A1HTTLMNA
SCHEMBL886987 0.86 KMT2A (0.36) ALDH1A1CTSVCTSLCTSBCTSS
SCHEMBL5345464 0.86 CA12 (0.33) MAPTPOLBNPSR1CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624306-B2 Stabilizer for addition polymer CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US claimed
US-20030166939-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides NESVADBA PETER (CH) 2003-09-04 US claimed
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. 2003-04-03 US claimed
US-7160966-B2 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2007-01-09 US disclosed
US-7160966-B2 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2007-01-09 US disclosed
US-7160966-B2 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2007-01-09 US disclosed
US-6624306-B2 Stabilizer for addition polymer CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US disclosed
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. 2003-04-03 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-20030166939-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HCAR2 846/4885MAPT 3356/4885POLB 465/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HCAR2 846/4885MAPT 3356/4885POLB 465/4885

“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.