SCHEMBL5364559

SCHEMBL5364559

C[Si](C)(C(N)=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KMT2A Q03164 2/20 0.40
ALOX5 P09917 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL6874393 0.80 ESR1 (0.50) MAPTTSHRHSD17B10TDP1ESR1
SCHEMBL16706156 0.80 ESR1 (0.44) MAPTPOLBCYP3A4PARP1TSHR
SCHEMBL27565431 0.78 ESR1 (0.48) MAPTCYP3A4TSHRHSD17B10TDP1
SCHEMBL8646495 0.76 KMT2A (0.39) MAPTPOLBCYP3A4PARP1TSHR
SCHEMBL10863561 0.74 CES1 (0.48) MAPTPOLBCYP3A4PARP1TSHR
SCHEMBL5779320 0.71 ESR1 (0.41) MAPTESR1ESR2CES2CES1
SCHEMBL10535386 0.71 MAPT (0.38) MAPTPOLBCYP3A4PARP1TSHR
SCHEMBL28532520 0.71 ACHE (0.44) MAPTHSD17B10ESR1ESR2KMT2A
SCHEMBL7773373 0.71 MAPT (0.46) MAPTPOLBCYP3A4PARP1TSHR
SCHEMBL8406888 0.71 MAPT (0.42) MAPTPOLBCYP3A4TSHRHSD17B10

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-20070129331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES RND PHARMACEUTICALS, INC. (US) 2007-06-07 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-20070129331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES PTGES2, PTGS2, SI MAPT 197/4885POLB 2634/4885CYP3A4 486/4885

“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.