SCHEMBL12787299

SCHEMBL12787299

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PIN1 Q13526 1/20 0.35
GLA P06280 1/20 0.34
F2 P00734 1/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PPID Q08752 1/20 0.34
HSD11B1 P28845 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PRNP P04156 1/20 0.33
F10 P00742 1/20 0.33
TOP2A P11388 1/20 0.33

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 0.89 TSHR (0.44) TSHRALDH1A1PIN1F2NPC1
SCHEMBL10779090 0.87 TSHR (0.39) TSHRALDH1A1PIN1F2NPC1
SCHEMBL2913428 0.87 MMP12 (0.39) TSHRNPC1
SCHEMBL2913434 0.87 MMP12 (0.39) TSHRNPC1
SCHEMBL23529640 0.85 TSHR (0.41) TSHRALDH1A1PIN1F2NPC1
SCHEMBL29772371 0.85 TSHR (0.41) TSHRALDH1A1PIN1F2NPC1
SCHEMBL2915807 0.85 TSHR (0.41) TSHRALDH1A1PIN1F2NPC1
SCHEMBL2915808 0.85 TSHR (0.41) TSHRALDH1A1PIN1F2NPC1
SCHEMBL9730290 0.85 TSHR (0.38) TSHRALDH1A1PIN1F2NPC1
SCHEMBL9857481 0.84 F2 (0.38) TSHRALDH1A1PIN1F2NPC1

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 671/4885PIN1 2496/4885

“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.