SCHEMBL2995741

SCHEMBL2995741

CCOCCOC(C)COCC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.31
THRB P10828 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
SCHEMBL534089 0.95 TDP1 (0.48) TDP1ALDH1A1TSHRLMNAHSD17B10
SCHEMBL19286018 0.87 TDP1 (0.38) TDP1
SCHEMBL25523468 0.87 TDP1 (0.42) TDP1ALDH1A1TSHRHSD17B10
SCHEMBL17471829 0.86 TDP1 (0.41) TDP1LMNA
SCHEMBL4398781 0.85 TDP1 (0.54) TDP1ALDH1A1LMNAHSD17B10
SCHEMBL25779313 0.85 TDP1 (0.48) TDP1ALDH1A1TSHRLMNAHSD17B10
Propene SCHEMBL15205012 0.85 TDP1 (0.41) TDP1ALDH1A1HSD17B10
SCHEMBL11460313 0.85 ALDH1A1 (0.50) TDP1ALDH1A1TSHRHSD17B10THRB
SCHEMBL11459642 0.85 ALDH1A1 (0.50) TDP1ALDH1A1TSHRHSD17B10THRB
SCHEMBL14378379 0.85 TDP1 (0.41) TDP1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145387-A1 RESIN CONTAINING OXETANE AND EPOXY GROUPS AND RESIN COMPOSITION INCLUDING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-05-26 US disclosed
US-20130060013-A1 Compounds useful for treating neurodegenerative disorders SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20100184603-A1 Alcohol alkoxylates, compositions containing these, and use of the alcohol alkoxylates as adjuvants for the agrochemical field BASF SE (DE) 2010-07-22 US disclosed
EP-2150515-A1 ALCOHOL ALKOXYLATES, AGENTS CONTAINING THESE, AND USE OF THE ALCOHOL ALKOXYLATES AS ADJUVANTS FOR THE AGROCHEMICAL FIELD BASF SE (DE) 2010-02-10 EP disclosed
WO-2008132150-A1 ALCOHOL ALKOXYLATES, AGENTS CONTAINING THESE, AND USE OF THE ALCOHOL ALKOXYLATES AS ADJUVANTS FOR THE AGROCHEMICAL FIELD BASF SE (DE) 2008-11-06 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 (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-20130060013-A1 Compounds useful for treating neurodegenerative disorders SNCA, HTT, CLN6 TDP1 159/4885ALDH1A1 588/4885TSHR 4547/4885
US-20100184603-A1 Alcohol alkoxylates, compositions containing these, and use of the alcohol alkoxylates as adjuvants for the agrochemical field ACOX3, PAOX, ADH5 TDP1 4027/4885ALDH1A1 930/4885TSHR 3414/4885
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS CLN6, NLN, ACHE TDP1 210/4885ALDH1A1 642/4885TSHR 4713/4885

“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.