Sugi Predict

Sugi Predict / Compounds / SCHEMBL5343012

SCHEMBL5343012

SCHEMBL5343012

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ CYP2D6 P10635 3/20 0.36
▸ LMNA P02545 4/20 0.36
▸ FFAR1 O14842 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ BLM P54132 2/20 0.32
▸ PMP22 Q01453 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MTOR P42345 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
SCHEMBL14590850 0.94 KMT2A (0.40) KMT2ATSHRMEN1GAACYP2D6
SCHEMBL5346737 0.94 KMT2A (0.40) KMT2ATSHRMEN1GAACYP2D6
SCHEMBL5343004 0.94 TSHR (0.39) KMT2ATSHRMEN1GAACYP2D6
SCHEMBL5346891 0.93 KMT2A (0.40) KMT2ATSHRMEN1GAACYP2D6
SCHEMBL27957816 0.92 KMT2A (0.44) KMT2ATSHRMEN1GAACYP2D6
SCHEMBL14590843 0.91 KMT2A (0.41) KMT2ATSHRMEN1GAACYP2D6
SCHEMBL5347557 0.91 KMT2A (0.41) KMT2ATSHRMEN1GAACYP2D6
SCHEMBL5346739 0.90 KMT2A (0.40) KMT2ATSHRMEN1GAACYP2D6
SCHEMBL14590851 0.90 KMT2A (0.40) KMT2ATSHRMEN1GAACYP2D6
SCHEMBL5337938 0.90 KMT2A (0.40) KMT2ATSHRMEN1GAACYP2D6

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 9 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-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides NESVADBA PETER (CH) 2005-06-30 — — 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 (3 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 KMT2A 1595/4885TSHR 4818/4885MEN1 4443/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 KMT2A 1595/4885TSHR 4818/4885MEN1 4443/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 KMT2A 1595/4885TSHR 4818/4885MEN1 4443/4885

“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.