SCHEMBL18039596

SCHEMBL18039596

C=CC(=O)OCCNC(=O)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 5/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.42
THRB P10828 2/20 0.39
KDM4E B2RXH2 3/20 0.36
KDM5C P41229 3/20 0.36
PHF8 Q9UPP1 3/20 0.36
KDM2A Q9Y2K7 3/20 0.36
EGLN1 Q9GZT9 2/20 0.36
KDM6B O15054 1/20 0.36
FOLH1 Q04609 1/20 0.36
ECE1 P42892 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 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
SCHEMBL16425942 0.86 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30646054 0.84 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16405348 0.84 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10080352 0.83 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16425946 0.83 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13405579 0.83 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16799410 0.82 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16799463 0.82 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12956298 0.81 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14509609 0.81 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225601-B2 Photo-crosslinkable emissive molecular materials CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 US disclosed
EP-3262054-B1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS CENTRE NAT RECH SCIENT (FR) 2019-11-13 EP disclosed
US-20180030342-A1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS NANTES UNIVERSITE (FR) 2018-02-01 US disclosed
EP-3262054-A1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS Centre National De La Recherche Scientifique (FR) 2018-01-03 EP disclosed
WO-2016135151-A1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-09-01 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 (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-11225601-B2 Photo-crosslinkable emissive molecular materials TYR, PNMT, INMT TSHR 3177/4885ALDH1A1 257/4885TP53 4286/4885
US-20180030342-A1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS TYR, PNMT, INMT TSHR 3177/4885ALDH1A1 257/4885TP53 4286/4885

“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.