SCHEMBL920187

SCHEMBL920187

C=CCOC(N)CCCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
ALDH1A1 P00352 2/20 0.36
OPRM1 P35372 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
SLC15A1 P46059 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
DNM1 Q05193 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
SCHEMBL11246030 0.78 TSHR (0.39) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL474670 0.78
SCHEMBL11671624 0.77 TSHR (0.37) TSHRALDH1A1OPRM1DPP8DPP7
SCHEMBL2794842 0.75 TSHR (0.39) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27657804 0.75 TSHR (0.36) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL11196311 0.75 TSHR (0.36) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28634941 0.75 TSHR (0.39) TSHRALDH1A1OPRM1MEN1KMT2A
SCHEMBL3875953 0.75
SCHEMBL5671681 0.75 OPRM1 (0.40) ALDH1A1OPRM1DPP7SLC1A3SLC1A2
SCHEMBL31124930 0.74

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-7872155-B2 Method of deprotection of alkyl arylamine ethers XEROX CORPORATION (US) 2011-01-18 US claimed
US-20090131721-A1 METHOD OF DEPROTECTION OF ALKYL ARYLAMINE ETHERS XEROX CORPORATION (US) 2009-05-21 US claimed
US-7872155-B2 Method of deprotection of alkyl arylamine ethers XEROX CORPORATION (US) 2011-01-18 US disclosed
US-7872155-B2 Method of deprotection of alkyl arylamine ethers XEROX CORPORATION (US) 2011-01-18 US disclosed
US-7872155-B2 Method of deprotection of alkyl arylamine ethers XEROX CORPORATION (US) 2011-01-18 US disclosed
US-20090131721-A1 METHOD OF DEPROTECTION OF ALKYL ARYLAMINE ETHERS XEROX CORPORATION (US) 2009-05-21 US disclosed
US-20090131721-A1 METHOD OF DEPROTECTION OF ALKYL ARYLAMINE ETHERS XEROX CORPORATION (US) 2009-05-21 US disclosed
US-20090131721-A1 METHOD OF DEPROTECTION OF ALKYL ARYLAMINE ETHERS XEROX CORPORATION (US) 2009-05-21 US disclosed
US-6331648-B1 Ether amines and derivatives NOVA MOLECULAR TECHNOLOGIES INC 2001-12-18 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 (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-20090131721-A1 METHOD OF DEPROTECTION OF ALKYL ARYLAMINE ETHERS NAT1, PNMT, AADAC TSHR 226/4885ALDH1A1 468/4885OPRM1 999/4885

“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.