SCHEMBL4936177

SCHEMBL4936177

CCCCC(=O)c1ccc(I)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.69
HTR7 P34969 1/20 0.67
STS P08842 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL16422179 0.92 HSD17B3 (0.71) HSD17B3HTR7STSL3MBTL1THRA
SCHEMBL14522305 0.89 HSD17B3 (0.83) HSD17B3HTR7STSL3MBTL1NPC1
SCHEMBL19757443 0.88 HSD17B3 (0.65) HSD17B3HTR7STSL3MBTL1THRA
SCHEMBL319591 0.88 HSD17B3 (0.67) HSD17B3HTR7STSL3MBTL1NPC1
SCHEMBL13670607 0.85 L3MBTL1 (0.61) HSD17B3L3MBTL1NPC1RAB9A
SCHEMBL5306901 0.83 NPC1 (0.54) HSD17B3HTR7L3MBTL1NPC1RAB9A
SCHEMBL11661975 0.83 HSD17B3 (0.74) HSD17B3HTR7STSL3MBTL1NPC1
SCHEMBL18753070 0.83 HSD17B3 (0.84) HSD17B3HTR7STSL3MBTL1NPC1
SCHEMBL5456494 0.82 HSD17B3 (0.71) HSD17B3HTR7STSL3MBTL1HPGD
SCHEMBL5306907 0.82 NPC1 (0.52) HSD17B3HTR7L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof PRESIDENT AND FELLOW OF HARVARD COLLEGE (US) 2008-09-25 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 (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-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof SLC6A2, SLC6A4, SLC6A3 HSD17B3 225/4885HTR7 130/4885STS 1052/4885

“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.