SCHEMBL3367006

SCHEMBL3367006

COC(=O)C(ON1C(C)(C)CCCC1(C)C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
SLC6A3 Q01959 6/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
DHFR P00374 1/20 0.41
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3363020 0.80 POLB (0.41) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL4805192 0.77 TSHR (0.45) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL4886714 0.75 PABPC1 (0.41) KMT2AALDH1A1LMNAMEN1TSHR
SCHEMBL410270 0.75 ADRB2 (0.45) KMT2AALDH1A1LMNAMEN1TSHR
SCHEMBL682099 0.74 CYP2D6 (0.36) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL410781 0.73 ALDH1A1 (0.44) KMT2AALDH1A1LMNASLC6A3SLC6A2
SCHEMBL15501122 0.72 GSR (0.40) KMT2AOPRM1OPRL1SLC6A3SLC6A2
SCHEMBL681183 0.72 GSR (0.40) KMT2AOPRM1OPRL1SLC6A3SLC6A2
SCHEMBL28343381 0.72 PABPC1 (0.35) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL5935976 0.72 TSHR (0.37) KMT2AALDH1A1LMNAMEN1TSHR

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
EP-1284966-B1 PROCESS FOR THE SYNTHESIS OF AMINE ETHERS FROM SECONDARY AMINO OXIDES BASF SE (DE) 2010-03-17 EP disclosed
US-7402675-B2 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2008-07-22 US disclosed
US-6900328-B2 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-05-31 US disclosed
US-20050043552-A1 Process for the synthesis of amine ethers from secondary amino oxides HAFNER ANDREAS (CH) 2005-02-24 US disclosed
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORP. 2003-09-11 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-20050043552-A1 Process for the synthesis of amine ethers from secondary amino oxides CYC1, AOC2, CBR1 KMT2A 1447/4885ALDH1A1 958/4885LMNA 3207/4885
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides IL4I1, HCCS, CBR1 KMT2A 1055/4885ALDH1A1 2416/4885LMNA 756/4885

“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.