SCHEMBL12787296

SCHEMBL12787296

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GSTO1 P78417 1/20 0.34
PIN1 Q13526 1/20 0.34
F2 P00734 1/20 0.34
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.33
PPID Q08752 1/20 0.33
MDM4 O15151 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MDM2 Q00987 1/20 0.33
POLB P06746 1/20 0.33
PRNP P04156 1/20 0.33
F10 P00742 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
SCHEMBL9347640 0.91 TSHR (0.44) TSHRALDH1A1MEN1KMT2APIN1
SCHEMBL2915807 0.87 TSHR (0.41) TSHRALDH1A1MEN1KMT2APIN1
SCHEMBL2915808 0.87 TSHR (0.41) TSHRALDH1A1MEN1KMT2APIN1
SCHEMBL23529640 0.84 TSHR (0.41) TSHRALDH1A1MEN1KMT2APIN1
SCHEMBL29772371 0.84 TSHR (0.41) TSHRALDH1A1MEN1KMT2APIN1
SCHEMBL12787298 0.84 TSHR (0.39) TSHRALDH1A1MEN1KMT2APIN1
SCHEMBL9730290 0.82 TSHR (0.38) TSHRALDH1A1MEN1KMT2APIN1
SCHEMBL9689889 0.82 TSHR (0.43) TSHRALDH1A1MEN1KMT2APIN1
SCHEMBL29198555 0.82 TSHR (0.43) TSHRALDH1A1MEN1KMT2APIN1
SCHEMBL29925577 0.82 TSHR (0.43) TSHRALDH1A1MEN1KMT2APIN1

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 1 patent. 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

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 671/4885MEN1 2751/4885

“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.