SCHEMBL6495392

SCHEMBL6495392

C=CC/C(CC(=O)O)=C(\C)CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
ABCC4 O15439 1/20 0.30
MAPT P10636 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
SCHEMBL6497515 1.00 ALOX15 (0.34) ALOX15HSD17B10LDHASRRALDH1A1
SCHEMBL8229593 0.84 LDHA (0.42) ALOX15HSD17B10LDHASRRALDH1A1
SCHEMBL10440768 0.74 ALOX15 (0.39) ALOX15HSD17B10LDHASRRALDH1A1
SCHEMBL17975858 0.71 ALOX15 (0.40) ALOX15HSD17B10LDHASRRALDH1A1
Acetic Acid SCHEMBL10534954 0.71 ALDH1A1 (0.45) ALOX15HSD17B10LDHASRRALDH1A1
Acetic Acid SCHEMBL1816061 0.71 ALDH1A1 (0.45) ALOX15HSD17B10LDHASRRALDH1A1
Acetone SCHEMBL7158493 0.71 ALDH1A1 (0.45) ALOX15HSD17B10LDHASRRALDH1A1
SCHEMBL362181 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6647502 0.69 LDHA (0.57) LDHASRRALDH1A1TSHR
SCHEMBL6647501 0.69 LDHA (0.57) LDHASRRALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861432-B2 Piperazine derivatives that destabilize androgen receptors SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20040009969-A1 Piperazine derivatives that destabilize androgen receptors SCHERING AG (DE) 2004-01-15 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-20040009969-A1 Piperazine derivatives that destabilize androgen receptors AR, FSHR, GNRHR ALOX15 2495/4885HSD17B10 648/4885LDHA 3788/4885

“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.