SCHEMBL17614754

SCHEMBL17614754

CC(COCCOCCO)OCC(C)OCC(C)OCC(C)OCCOCCO

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30416641 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL29846085 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL29520571 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30946745 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30946746 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30946743 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30416902 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30946744 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30946742 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL19000752 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000581-B2 Therapeutic and imaging compositions and uses thereof PURDUE RESEARCH FOUNDATION (US) 2018-06-19 US disclosed
US-20170179362-A1 THERMOELECTRIC CONVERSION ELEMENT, n-TYPE THERMOELECTRIC CONVERSION LAYER, AND COMPOSITION FOR FORMING n-TYPE THERMOELECTRIC CONVERSION LAYER FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed
US-20160083485-A1 THERAPEUTIC AND IMAGING COMPOSITIONS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2016-03-24 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-10000581-B2 Therapeutic and imaging compositions and uses thereof NPC1, NPC1L1, GBA1 TDP1 3112/4885MEN1 764/4885KMT2A 3408/4885
US-20160083485-A1 THERAPEUTIC AND IMAGING COMPOSITIONS AND USES THEREOF NPC1, NPC1L1, GBA1 TDP1 3112/4885MEN1 764/4885KMT2A 3408/4885

“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.