SCHEMBL9954628

SCHEMBL9954628

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.38
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ATM Q13315 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
GLA P06280 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
SCHEMBL15674545 1.00 ALDH1A1 (0.40) ALDH1A1TSHRMAPTHTTCYP2C9
SCHEMBL9955607 0.86 CYP2C19 (0.34) ALDH1A1TSHRMAPTHTTCYP2C9
SCHEMBL9955616 0.86 CYP2C19 (0.34) ALDH1A1TSHRMAPTHTTCYP2C9
SCHEMBL616174 0.76 ALDH1A1 (0.57) ALDH1A1TSHRMAPTHTTCYP2C9
SCHEMBL11032404 0.73 ALDH1A1 (0.50) ALDH1A1TSHRMAPTHTTCYP2C9
SCHEMBL2542398 0.72 MAPT (0.34) ALDH1A1TSHRMAPTHTTSMN1; SMN2
SCHEMBL2542406 0.72 MAPT (0.34) ALDH1A1TSHRMAPTHTTSMN1; SMN2
SCHEMBL117770 0.72 ALDH1A1 (0.46) ALDH1A1TSHRMAPTHTTCYP2C9
SCHEMBL10553210 0.71 ALDH1A1 (0.52) ALDH1A1TSHRMAPTHTTCYP2C9
SCHEMBL10550998 0.71 ALDH1A1 (0.52) ALDH1A1TSHRMAPTHTTCYP2C9

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
US-8916701-B2 Methods of making diastereomeric organic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916701-B2 Methods of making diastereomeric organic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916701-B2 Methods of making diastereomeric organic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2655349-B1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
EP-2655349-B1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-20140135493-A1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-15 US disclosed
US-20140135493-A1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-15 US disclosed
US-20140135493-A1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-15 US disclosed
EP-2655349-A1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2013-10-30 EP disclosed
WO-2012087720-A1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20140135493-A1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS HSD11B1, HSD11B2, HSD17B1 ALDH1A1 74/4885TSHR 2842/4885MAPT 3992/4885

“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.