SCHEMBL5973993

SCHEMBL5973993

C=CCOCCCOC(=O)/C=C\C(=O)OCCCOCC=C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
TSHR P16473 6/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
HCAR2 Q8TDS4 5/20 0.44
HPGD P15428 1/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
APP P05067 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL5973483 1.00 ATM (0.50) ATMTSHRALDH1A1CYP3A4MAPT
SCHEMBL5973493 1.00 ATM (0.50) ATMTSHRALDH1A1CYP3A4MAPT
SCHEMBL7638858 0.96 TSHR (0.52) ATMTSHRALDH1A1CYP3A4MAPT
SCHEMBL7636692 0.96 TSHR (0.52) ATMTSHRALDH1A1CYP3A4MAPT
SCHEMBL7637527 0.93 HCAR2 (0.56) ATMTSHRALDH1A1CYP3A4MAPT
SCHEMBL7637532 0.93 HCAR2 (0.56) ATMTSHRALDH1A1CYP3A4MAPT
SCHEMBL11276141 0.89 ATM (0.44) ATMTSHRALDH1A1CYP3A4MAPT
SCHEMBL7636696 0.89 HCAR2 (0.59) ATMTSHRALDH1A1CYP3A4MAPT
SCHEMBL7636698 0.89 HCAR2 (0.59) ATMTSHRALDH1A1CYP3A4MAPT
SCHEMBL4958348 0.88 TSHR (0.63) ATMTSHRALDH1A1CYP3A4MAPT

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
EP-0957079-B1 ETHER COMPOUNDS AND PROCESS FOR PRODUCING THE SAME SHOWA DENKO KK (JP) 2006-12-27 EP disclosed
US-6376702-B1 A 1-ALKENYL ETHER SHOWA DENKO K.K. (JP) 2002-04-23 US disclosed
EP-1176136-A1 PROCESS FOR PRODUCING FUMARIC ESTER Showa Denko K.K. (JP) 2002-01-30 EP disclosed
US-20020002306-A1 Method for producing fumaric acid esters SHOWA DENKO K.K. (JP) 2002-01-03 US disclosed
US-6204410-B1 FOR FREE RADICAL POLYMERIZATION SHOWA DENKO KABUSHIKI KAISHA (JP) 2001-03-20 US disclosed
EP-0957079-A1 NEW ETHER COMPOUNDS AND PROCESS FOR PRODUCING THE SAME Showa Denko Kabushiki Kaisha (JP) 1999-11-17 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 (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-20020002306-A1 Method for producing fumaric acid esters FH, ME1, ME3 ATM 3076/4885TSHR 4711/4885ALDH1A1 569/4885

“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.