SCHEMBL16709385

SCHEMBL16709385

Cc1ccc(C=O)cc1C#C[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
TSHR P16473 1/20 0.38
CYP2A6 P11509 3/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
MELK Q14680 1/20 0.36
ALDH1A3 P47895 2/20 0.36
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PTK2B Q14289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 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
SCHEMBL28416781 0.81 ALDH1A1 (0.37) ALDH1A1TSHRCYP2A6CLK1CLK2
SCHEMBL16698152 0.79 ALDH1A1 (0.59) ALDH1A1TSHRCLK1CLK2CLK3
SCHEMBL24215830 0.78 ALDH1A1 (0.48) ALDH1A1TSHRCYP2A6CLK1CLK2
SCHEMBL9795798 0.78 ALDH1A1 (0.38) ALDH1A1TSHRCYP2A6CLK1CLK2
SCHEMBL27088321 0.76 ALDH1A1 (0.33) ALDH1A1TSHRCLK1CLK2CLK3
SCHEMBL28415836 0.76 ALDH1A1 (0.54) ALDH1A1TSHRCLK1CLK2CLK3
SCHEMBL31098032 0.76 ALDH1A1 (0.54) ALDH1A1TSHRCLK1CLK2CLK3
SCHEMBL22300296 0.74 GRM5 (0.45) ALDH1A1TSHRMAPT
SCHEMBL16249165 0.74 ALDH1A1 (0.42) ALDH1A1TSHRCYP2A6ALDH1A3KDM4E
SCHEMBL29956523 0.74 TSHR (0.43) ALDH1A1TSHRCYP2A6ALDH1A3KDM4E

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-20150133467-A1 SCREENING METHOD, PROTEIN INSTABILITY AND/OR STABILITY INDUCERS, AND PROTEIN ACTIVITY ASSESSMENT KYOTO UNIVERSITY (JP) 2015-05-14 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-20150133467-A1 SCREENING METHOD, PROTEIN INSTABILITY AND/OR STABILITY INDUCERS, AND PROTEIN ACTIVITY ASSESSMENT IGF2BP1, IGF2BP2, IGF2BP3 ALDH1A1 2338/4885TSHR 3338/4885CYP2A6 3561/4885

“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.