SCHEMBL4275686

SCHEMBL4275686

CCCCCCCCCCCCCCONCCCOCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
CES2 O00748 2/20 0.41
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 2/20 0.38
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA9 Q16790 7/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38

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
SCHEMBL4271921 1.00 HTT (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL4275163 1.00 HTT (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL4280447 1.00 HTT (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL4279420 1.00 HTT (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL466284 0.89 EPHX1 (0.46) THRBEPHX2ALDH1A1TSHRCA1
SCHEMBL10705860 0.89 EPHX1 (0.46) THRBEPHX2ALDH1A1TSHRCA1
SCHEMBL16143788 0.89 EPHX1 (0.46) THRBEPHX2ALDH1A1TSHRCA1
SCHEMBL8014495 0.89 EPHX1 (0.46) THRBEPHX2ALDH1A1TSHRCA1
SCHEMBL6027841 0.89 EPHX1 (0.46) THRBEPHX2ALDH1A1TSHRCA1
SCHEMBL28554627 0.89 EPHX1 (0.46) THRBEPHX2ALDH1A1TSHRCA1

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
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
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 HTT 1060/4885MEN1 4517/4885THRB 4473/4885

“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.