SCHEMBL4275153

SCHEMBL4275153

CCCCCCCCCCCCCCCON(CCC)OCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.40
THRB P10828 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LPAR3 Q9UBY5 6/20 0.37
LPAR2 Q9HBW0 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
LPAR1 Q92633 2/20 0.37
NAAA Q02083 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL8432806 1.00 DNM1 (0.40) DNM1THRBTSHRMEN1HTT
SCHEMBL4275670 1.00 DNM1 (0.40) DNM1THRBTSHRMEN1HTT
SCHEMBL4280436 1.00 DNM1 (0.40) DNM1THRBTSHRMEN1HTT
SCHEMBL4271908 1.00 DNM1 (0.40) DNM1THRBTSHRMEN1HTT
SCHEMBL1817034 1.00 DNM1 (0.40) DNM1THRBTSHRMEN1HTT
SCHEMBL10384073 1.00 DNM1 (0.40) DNM1THRBTSHRMEN1HTT
SCHEMBL11520008 0.93 DNM1 (0.36) DNM1THRBTSHRMEN1HTT
SCHEMBL9124092 0.90 ADRB2 (0.39) DNM1THRBTSHRALDH1A1CA1
SCHEMBL927971 0.84 LMNA (0.44) THRBTSHRMEN1HTTKMT2A
SCHEMBL926386 0.84 LMNA (0.44) THRBTSHRMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042749-A1 N,N-Dialkylpolyhydroxyalkylamines AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-02-12 US disclosed
EP-1676831-B1 N,N-dialkylpolyhydroxyalkylamines AIR PROD & CHEM (US) 2008-10-08 EP disclosed
EP-1676831-A1 N,N-dialkylpolyhydroxyalkylamines Air Products and Chemicals, Inc. (US) 2006-07-05 EP disclosed
US-20060100127-A1 N,N-dialkylpolyhydroxyalkylamines AIR PRODUCTS AND CHEMICALS, INC. 2006-05-11 US disclosed
EP-1637038-A2 N,N'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-03-22 EP disclosed
US-20060013780-A1 N,N'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AIR PRODUCTS AND CHEMICALS, INC. 2006-01-19 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-20060013780-A1 N,N'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AGL, SFN, MGAT1 DNM1 3150/4885THRB 4473/4885TSHR 2728/4885

“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.