SCHEMBL2428643

SCHEMBL2428643

CCCCCN(CCCCC)c1ccccc1/C=C/c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.40
TRPA1 O75762 2/20 0.40
CHAT P28329 2/20 0.40
ATG4B Q9Y4P1 1/20 0.39
BCHE P06276 5/20 0.39
ACHE P22303 3/20 0.39
EGFR P00533 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
INSR P06213 1/20 0.37
RELA Q04206 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL2428647 1.00 NFE2L2 (0.40) NFE2L2TRPA1CHATATG4BBCHE
SCHEMBL6090752 0.95 ATG4B (0.42) NFE2L2TRPA1CHATATG4BBCHE
SCHEMBL6090762 0.95 ATG4B (0.42) NFE2L2TRPA1CHATATG4BBCHE
SCHEMBL3359315 0.90 ALDH1A1 (0.37) CHATATG4BTP53INSRKCNH2
SCHEMBL11206640 0.83 NFE2L2 (0.47) NFE2L2TRPA1CHATTP53MAPT
SCHEMBL11206645 0.83 NFE2L2 (0.47) NFE2L2TRPA1CHATTP53MAPT
SCHEMBL27557125 0.82 CHAT (0.40) NFE2L2TRPA1CHATBCHEACHE
SCHEMBL1830841 0.82 INSR (0.44) ATG4BMAPTINSRKCNH2
Iodide SCHEMBL8702272 0.81 RAB9A (0.52) CHATMAPTSMN1; SMN2
SCHEMBL9798366 0.81 ALDH3A1 (0.43) ATG4BBCHEACHEEGFRTP53

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-7276627-B2 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-02 US claimed
US-20060224017-A1 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-10-05 US claimed
WO-2022113702-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND ELECTROCHROMIC ELEMENT RICOH COMPANY, LTD. (JP) 2022-06-02 WO disclosed
US-8017807-B2 Tetrahydroxy compound, method for preparing the tetrahydroxy compound, and photoreceptor using the tetrahydroxy compound RICOH COMPANY LIMITED (JP) 2011-09-13 US disclosed
US-7276627-B2 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-02 US disclosed
US-7276627-B2 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-02 US disclosed
US-20070128530-A1 TETRAHYDROXY COMPOUND, METHOD FOR PREPARING THE TETRAHYDROXY COMPOUND, AND PHOTORECEPTOR USING THE TETRAHYDROXY COMPOUND RICOH COMPANY, LTD. (JP) 2007-06-07 US disclosed
US-20060224017-A1 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-10-05 US disclosed
US-20060224017-A1 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-10-05 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-20060224017-A1 One pot sequential reactions and novel products produced thereby PNMT, CYP1A1, TERT NFE2L2 446/4885TRPA1 1677/4885CHAT 4363/4885
US-20070128530-A1 TETRAHYDROXY COMPOUND, METHOD FOR PREPARING THE TETRAHYDROXY COMPOUND, AND PHOTORECEPTOR USING THE TETRAHYDROXY COMPOUND ALDH1A2, SLC9B2, SLC18A2 NFE2L2 1620/4885TRPA1 302/4885CHAT 546/4885

“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.