SCHEMBL1636890

SCHEMBL1636890

Cc1cccc([Si](C)(C)O[SiH3])c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
CYP2A6 P11509 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.32
KEAP1 Q14145 2/20 0.32
POLB P06746 1/20 0.32
HTR1B P28222 1/20 0.32
CYP2C19 P33261 1/20 0.31
NFE2L2 Q16236 1/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL9359921 0.84 TRPA1 (0.39) TRPA1ATMCYP1A2MAPTCYP2A6
SCHEMBL1395168 0.82 TSHR (0.41) CYP1A2CYP2A6TDP1TSHRSMN1; SMN2
SCHEMBL10616553 0.78 TRPA1 (0.34) TRPA1ATMCYP1A2MAPTCYP2A6
SCHEMBL20535490 0.78 TRPA1 (0.34) TRPA1ATMCYP1A2MAPTALDH1A1
SCHEMBL986311 0.77 TRPA1 (0.44) TRPA1ATMCYP1A2MAPTCYP2A6
SCHEMBL9359930 0.73 TRPA1 (0.46) TRPA1ATMCYP1A2MAPTCYP2A6
SCHEMBL1317885 0.73 TRPA1 (0.41) TRPA1ATMCYP1A2MAPTCYP2A6
SCHEMBL1313855 0.73 TRPA1 (0.41) TRPA1ATMCYP1A2MAPTCYP2A6
SCHEMBL9363790 0.72 TRPA1 (0.31) TRPA1ATM
SCHEMBL7778415 0.72 TRPA1 (0.44) TRPA1ATMCYP1A2MAPTCYP2A6

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-20090182161-A1 METHOD TO IMPROVE WETTABILITY BY REDUCING LIQUID POLYMER MACROMOLECULE MOBILITY THROUGH FORMING POLYMER BLEND SYSTEM INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-07-16 US claimed
US-7932342-B2 Method to improve wettability by reducing liquid polymer macromolecule mobility through forming polymer blend system INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-04-26 US disclosed
US-20090182161-A1 METHOD TO IMPROVE WETTABILITY BY REDUCING LIQUID POLYMER MACROMOLECULE MOBILITY THROUGH FORMING POLYMER BLEND SYSTEM INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-07-16 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-20090182161-A1 METHOD TO IMPROVE WETTABILITY BY REDUCING LIQUID POLYMER MACROMOLECULE MOBILITY THROUGH FORMING POLYMER BLEND SYSTEM VCL, PCNA, MMP26 TRPA1 3964/4885ATM 1723/4885CYP1A2 4813/4885

“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.