SCHEMBL254987

SCHEMBL254987

CC(=O)c1ccc(OC[C@H](C)O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
ABCB1 P08183 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOB P27338 7/20 0.43
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.40

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
SCHEMBL27244222 0.88 PARP10 (0.49) MAPTLMNAPOLBNPSR1ALDH1A1
SCHEMBL27243795 0.86 MAPT (0.51) MAPTLMNAPOLBGAAALDH1A1
SCHEMBL22249309 0.80 KDM4E (0.36) MAPTLMNAPOLBALDH1A1HPGD
SCHEMBL22233284 0.80 ALDH1A1 (0.43) MAPTLMNAPOLBGAAALDH1A1
SCHEMBL6507499 0.79 LMNA (0.49) LMNAALDH1A1MAOA
SCHEMBL1931571 0.79 ALDH1A3 (0.42) MAPTLMNAL3MBTL1ALDH1A1HPGD
SCHEMBL22233863 0.79 CA2 (0.39) MAPTLMNAPOLBALDH1A1HPGD
SCHEMBL3603475 0.79 ALDH1A3 (0.42) MAPTLMNAL3MBTL1ALDH1A1HPGD
SCHEMBL11699645 0.77 MAPT (0.58) MAPTLMNAPOLBNPSR1L3MBTL1
SCHEMBL8719655 0.77 MMP12 (0.43) MAPTLMNAALDH1A1MAOBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 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 (2 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-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC MAPT 3714/4885LMNA 407/4885POLB 2426/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC MAPT 3714/4885LMNA 407/4885POLB 2426/4885

“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.