SCHEMBL2915807

SCHEMBL2915807

CCOC(=O)C[C@@H](CC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP8 P22894 1/20 0.38
PIN1 Q13526 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
F2 P00734 1/20 0.37
PPID Q08752 1/20 0.36
HSD11B1 P28845 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
PRNP P04156 1/20 0.36
TOP2A P11388 1/20 0.35

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
SCHEMBL2915808 1.00 TSHR (0.41) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL9347640 0.96 TSHR (0.44) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL23529640 0.90 TSHR (0.41) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL29772371 0.90 TSHR (0.41) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL12787296 0.87 TSHR (0.38) TSHRALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL9689889 0.87 TSHR (0.43) TSHRALDH1A1MMP8PIN1MEN1
SCHEMBL12268284 0.87 MAPT (0.39) TSHRALDH1A1HTT
SCHEMBL29925577 0.87 TSHR (0.43) TSHRALDH1A1MMP8PIN1MEN1
SCHEMBL29198555 0.87 TSHR (0.43) TSHRALDH1A1MMP8PIN1MEN1
SCHEMBL12787298 0.86 TSHR (0.39) TSHRALDH1A1CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2011-03-17 US disclosed
EP-2223909-A1 Process for preparing pentanoic diacid derivatives Ratiopharm GmbH (DE) 2010-09-01 EP disclosed
EP-2181089-A2 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES Ratiopharm GmbH (DE) 2010-05-05 EP disclosed
WO-2009027081-A2 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2009-03-05 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-20110065920-A1 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES HMGCR, DPYD, FDPS TSHR 4464/4885ALDH1A1 671/4885CYP3A4 175/4885

“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.