SCHEMBL3246786

SCHEMBL3246786

CC(C)(C)C(=O)C(=O)C(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.32

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
SCHEMBL348208 0.82 TSHR (0.40) TSHRALDH1A1
SCHEMBL6282434 0.82 ALDH1A1 (0.54) TSHRALDH1A1TP53
SCHEMBL959151 0.72
SCHEMBL5320589 0.69 TSHR (0.41) TSHRALDH1A1TP53THRB
SCHEMBL4644506 0.69
Pivalate SCHEMBL11550946 0.69 TSHR (0.71) TSHRALDH1A1TP53THRB
SCHEMBL3077314 0.67 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL17953040 0.67 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL6151164 0.67 CA2 (0.32) TSHRALDH1A1
SCHEMBL10544155 0.65 TSHR (0.36) TSHRALDH1A1TP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210584-A1 Stable polymeric composition comprising an epothilone and an amphiphilic block copolymer Bayer Schering Pharma Aktiengesellschaft (DE) 2010-07-28 EP disclosed
US-20090163450-A1 COMBINATIONS COMPRISING A PROSTAGLANDIN AND USES THEREOF BAYER SCHERING PHARMA AG (DE) 2009-06-25 US disclosed
WO-2009074233-A1 SURFACE-MODIFIED NANOPARTICLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
EP-2070521-A1 Surface-modified nanoparticles Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP disclosed
WO-2009068190-A2 COMBINATIONS COMPRISING A PROSTAGLANDIN AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
EP-2065054-A1 Combinations comprising a prostaglandin and uses thereof Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-03 EP 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-20090163450-A1 COMBINATIONS COMPRISING A PROSTAGLANDIN AND USES THEREOF TUBB3, TUBB, PTGES2 TSHR 4549/4885ALDH1A1 2420/4885TP53 2063/4885

“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.