SCHEMBL5568890

SCHEMBL5568890

CCC(C)C(CC)(C(=O)O)C(CC)(C(=O)O)C(C)CC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
KIF11 P52732 1/20 0.31
FFAR3 O14843 1/20 0.30
TSHR P16473 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
SCHEMBL3922345 0.79 ALDH1A1 (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL1959317 0.75 MEN1 (0.31) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL9829180 0.75 CYP1A2 (0.40) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL9829183 0.75 CYP1A2 (0.40) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL2163518 0.75 CYP1A2 (0.40) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL3640223 0.75 MEN1 (0.31) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL28418458 0.74 TSHR (0.33) ALDH1A1KIF11FFAR3TSHR
Ammonia Solution, Strong SCHEMBL10585171 0.73 MEN1 (0.30) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL11852978 0.73 FFAR3 (0.35) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL20702119 0.73 CPT2 (0.35) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458661-B1 SEPARATION OF DIASTEREOISOMERS BASELL POLIOLEFINE SRL (IT) 2007-05-02 EP claimed
US-7067690-B2 Separation of diastereoisomers BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2006-06-27 US claimed
US-20050171379-A1 Separation of diastereoisomers BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-08-04 US claimed
EP-1458661-A1 SEPARATION OF DIASTEREOISOMERS Basell Poliolefine Italia S.p.A. (IT) 2004-09-22 EP claimed
WO-2003055831-A1 SEPARATION OF DIASTEREOISOMERS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-07-10 WO claimed
EP-1458661-B1 SEPARATION OF DIASTEREOISOMERS BASELL POLIOLEFINE SRL (IT) 2007-05-02 EP disclosed
US-7067690-B2 Separation of diastereoisomers BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2006-06-27 US disclosed
US-20050171379-A1 Separation of diastereoisomers BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-08-04 US disclosed
EP-1458661-A1 SEPARATION OF DIASTEREOISOMERS Basell Poliolefine Italia S.p.A. (IT) 2004-09-22 EP disclosed
WO-2003055831-A1 SEPARATION OF DIASTEREOISOMERS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-07-10 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-20050171379-A1 Separation of diastereoisomers SSB, C9, CA1 MEN1 325/4885ALDH1A1 691/4885CYP1A2 2438/4885

“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.