SCHEMBL6486679

SCHEMBL6486679

C=CCC1=C(C)C(=O)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL29048816 0.84 CYP3A4 (0.31)
SCHEMBL11807986 0.78 CDC25A (0.30)
SCHEMBL6927992 0.75 CDC25A (0.30)
Allylamine SCHEMBL20567612 0.73 ALDH1A1 (0.43) ALDH1A1
SCHEMBL3292856 0.72 CDC25A (0.33)
SCHEMBL304729 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15268000 0.70 CDC25A (0.40) ALDH1A1HPGD
SCHEMBL8403017 0.70 CDC25A (0.32)
SCHEMBL3171268 0.68 MAOB (0.33) NPSR1
SCHEMBL1165248 0.68 CDC25A (0.47) ALDH1A1

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 3 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
WO-2003043983-A1 PIPERAZINE DERIVATIVES DESTABILISING ANDROGEN RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-30 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-20040009969-A1 Piperazine derivatives that destabilize androgen receptors AR, FSHR, GNRHR NPSR1 24/4885ALDH1A1 405/4885HPGD 720/4885

“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.