SCHEMBL1694299

SCHEMBL1694299

C#CCCCCOCCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA4 P43681 1/20 0.33
USP2 O75604 1/20 0.32
LYPLA1 O75608 1/20 0.31
LYPLA2 O95372 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 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
SCHEMBL9585705 0.82 CYP1A2 (0.39) ALDH1A1CA2CA9USP2
SCHEMBL19233495 0.79 MAPT (0.37) CA2CA9USP2
SCHEMBL29684541 0.79 MAPT (0.42) KDM4EALDH1A1HPGDCA2CA9
SCHEMBL7621262 0.79 ALDH1A1 (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL16222340 0.77
SCHEMBL31465793 0.77 CA12 (0.46) KDM4EALDH1A1CA12CA1CA2
SCHEMBL6015395 0.76 MAPT (0.37) USP2
SCHEMBL476584 0.74 ALDH1A1 (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL740005 0.74
SCHEMBL23015153 0.74 MAPT (0.40) KDM4EALDH1A1HPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
EP-2585453-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION President and Fellows of Harvard College (US) 2013-05-01 EP disclosed
WO-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 WO 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-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation MKI67, EIF2AK2, CDK2 KDM4E 2418/4885ALDH1A1 3428/4885HPGD 2477/4885

“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.