SCHEMBL4293741

SCHEMBL4293741

CCCCCCCCC(=O)c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.71
HDAC1 Q13547 4/20 0.67
HDAC8 Q9BY41 2/20 0.67
HTR7 P34969 1/20 0.58
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
STS P08842 4/20 0.56
HDAC3 O15379 2/20 0.55
HDAC2 Q92769 2/20 0.55

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
SCHEMBL7788804 1.00 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL7907717 1.00 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL7789360 1.00 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL7789291 1.00 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL4198536 0.98 HSD17B3 (0.70) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL19757444 0.95 HSD17B3 (0.65) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL1091479 0.92 HSD17B3 (0.69) HSD17B3HDAC1HDAC8HTR7STS
SCHEMBL13085847 0.90 HSD17B3 (0.85) HSD17B3HTR7THRATHRBSTS
SCHEMBL13085794 0.90 HSD17B3 (0.85) HSD17B3HTR7THRATHRBSTS
SCHEMBL18753070 0.88 HSD17B3 (0.84) HSD17B3HTR7THRATHRBSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110846050-B Bent azo liquid crystal compound and preparation method and application thereof 武汉轻工大学 2021-09-17 CN disclosed
CN-110846050-A Bent azo liquid crystal compound and preparation method and application thereof 武汉轻工大学 2020-02-28 CN disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
EP-1650186-B1 Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-06-04 EP disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO disclosed
EP-1650186-A1 Novel dicarboxylic acid derivatives BIOPROJET (FR) 2006-04-26 EP disclosed
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 HSD17B3 1937/4885HDAC1 431/4885HDAC8 1315/4885

“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.