SCHEMBL540169

SCHEMBL540169

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 6/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCB11 O95342 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2B P18089 1/20 0.37
OPRD1 P41143 1/20 0.37
SCN5A Q14524 1/20 0.37
CA2 P00918 1/20 0.35
EPHX2 P34913 2/20 0.33
THRB P10828 1/20 0.33
SERPINE1 P05121 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL1277874 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9333256 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9333564 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9333587 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9333535 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8746586 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL163984 0.93
SCHEMBL1063406 0.87 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28555010 0.87 EPHX2 (0.42) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL7878546 0.87 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10

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
EP-2414322-B1 POLYAMINE DERIVATIVES EGEN INC (US) 2022-09-14 EP disclosed
US-20140050775-A1 Polyamine Derivatives EGEN, INC. (US) 2014-02-20 US disclosed
US-8460696-B2 Polyamine derivatives EGEN, INC. (US) 2013-06-11 US disclosed
EP-2414322-A2 POLYAMINE DERIVATIVES Egen, Inc. (US) 2012-02-08 EP disclosed
US-20100260817-A1 Polyamine Derivatives EGEN, INC. 2010-10-14 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-20100260817-A1 Polyamine Derivatives SRM, SMS, SGMS2 TSHR 2089/4885ALDH1A1 3120/4885TP53 1222/4885
US-20140050775-A1 Polyamine Derivatives SRM, SMS, SGMS2 TSHR 2089/4885ALDH1A1 3120/4885TP53 1222/4885

“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.