SCHEMBL5933461

SCHEMBL5933461

CCCCOCCCCOCCCN

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP3A4 P08684 2/20 0.52
DNM1 Q05193 8/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
EPHX1 P07099 1/20 0.48
HTT P42858 2/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46

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
SCHEMBL17188317 0.97 TSHR (0.50) TSHRCYP3A4DNM1MEN1KMT2A
Ethylenediamine SCHEMBL27579634 0.97 TSHR (0.55) TSHRCYP3A4DNM1MEN1KMT2A
SCHEMBL237526 0.97
SCHEMBL2599828 0.94 DNM1 (0.55) TSHRCYP3A4DNM1MEN1KMT2A
SCHEMBL23406866 0.94 TSHR (0.52) TSHRCYP3A4DNM1MEN1KMT2A
SCHEMBL5933645 0.94 DNM1 (0.55) TSHRCYP3A4DNM1MEN1KMT2A
SCHEMBL309263 0.94 DNM1 (0.55) TSHRCYP3A4DNM1MEN1KMT2A
SCHEMBL19262110 0.94 TSHR (0.52) TSHRCYP3A4DNM1MEN1KMT2A
SCHEMBL5932795 0.94 TSHR (0.52) TSHRCYP3A4DNM1MEN1KMT2A
SCHEMBL429250 0.94 TSHR (0.52) TSHRCYP3A4DNM1MEN1KMT2A

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-20220154219-A1 GENE DELIVERY PARTICLES TO INDUCE TUMOR-DERIVED ANTIGEN PRESENTING CELLS THE JOHNS HOPKINS UNIVERSITY 2022-05-19 US disclosed
US-8906979-B2 Macrophotoinitiators BASF SE (DE) 2014-12-09 US disclosed
EP-2641895-A1 Precursor of polymerizable compound FUJIFILM Corporation (JP) 2013-09-25 EP disclosed
US-20120178844-A1 MACROPHOTOINITIATORS BASF SE (DE) 2012-07-12 US disclosed
US-7745413-B2 Collection of traceable compounds and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-29 US disclosed
WO-2009060292-A2 SMAC MIMETIC COMPOUNDS AS APOPTOSIS INDUCERS UNIVERSITA'DEGLI STUDI DI MILANO (IT) 2009-05-14 WO disclosed
US-20080176763-A1 Collection of Traceable Compounds and Uses Thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-07-24 US disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP 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 (3 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-20120178844-A1 MACROPHOTOINITIATORS CD68, CD209, MSR1 TSHR 3272/4885CYP3A4 594/4885DNM1 3005/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR TSHR 1237/4885CYP3A4 3876/4885DNM1 2072/4885
US-20220154219-A1 GENE DELIVERY PARTICLES TO INDUCE TUMOR-DERIVED ANTIGEN PRESENTING CELLS PBK, MICA, STAT3 TSHR 3092/4885CYP3A4 4838/4885DNM1 4014/4885

“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.