SCHEMBL5625823

SCHEMBL5625823

C=CC(=O)OCCCCCCOc1ccc(C=Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.64
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
PLA2G4B P0C869 5/20 0.52
RARB P10826 3/20 0.50
CYP3A4 P08684 1/20 0.50
PPARA Q07869 1/20 0.50
ALB P02768 1/20 0.49
PLA2G4A P47712 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL5625817 1.00 HTT (0.64) HTTPOLBAPEX1TDP1ALDH1A1
SCHEMBL8679407 0.93 HTT (0.72) HTTPOLBAPEX1TDP1ALDH1A1
SCHEMBL224332 0.93 HTT (0.72) HTTPOLBAPEX1TDP1ALDH1A1
SCHEMBL9108115 0.93 HTT (0.72) HTTPOLBAPEX1TDP1ALDH1A1
SCHEMBL1531836 0.93 HTT (0.72) HTTPOLBAPEX1TDP1ALDH1A1
SCHEMBL2887975 0.93 HTT (0.72) HTTPOLBAPEX1TDP1ALDH1A1
SCHEMBL8744843 0.93 HTT (0.72) HTTPOLBAPEX1TDP1ALDH1A1
SCHEMBL9471681 0.93 HTT (0.72) HTTPOLBAPEX1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL1178447 0.92 HTT (0.70) HTTPOLBAPEX1TDP1ALDH1A1
SCHEMBL13697348 0.92 TSHR (0.59) HTTALDH1A1TSHRTHRBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7311948-B2 Isosorbide derivatives KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-12-25 US disclosed
US-20040232383-A1 Isosorbide derivatives KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-11-25 US disclosed
EP-1432716-A1 ISOSORBIDE DERIVATIVES Koninklijke Philips Electronics N.V. (NL) 2004-06-30 EP disclosed
WO-2003027119-A1 ISOSORBIDE DERIVATIVES KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2003-04-03 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 (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-20040232383-A1 Isosorbide derivatives CRY2, INF2, IKZF1 HTT 2291/4885POLB 474/4885APEX1 1624/4885

“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.