SCHEMBL3098804

SCHEMBL3098804

Cc1cc(C#C[Si](C)(C)C)cc(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR35 Q9HC97 2/20 0.35
TDP1 Q9NUW8 3/20 0.33
HCAR2 Q8TDS4 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA6 Q16445 2/20 0.33
DAO P14920 1/20 0.33
LMNA P02545 1/20 0.33
GABRA4 P48169 1/20 0.33
KDM4E B2RXH2 4/20 0.32

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
SCHEMBL28755420 0.90 ALOX15 (0.47) ALOX15TSHRHIF1AALDH1A1GPR35
SCHEMBL31325228 0.83 KDM4E (0.39) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL3721314 0.80 POLB (0.32) ALOX15ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL3098035 0.77 ALOX15 (0.41) ALOX15TSHRHIF1AALDH1A1MAPK1
SCHEMBL3090482 0.77 ALOX15 (0.41) ALOX15TSHRHIF1AALDH1A1MAPK1
SCHEMBL31254232 0.75 LMNA (0.36) ALOX15TSHRHIF1AALDH1A1MAPK1
SCHEMBL28593020 0.73 TPMT (0.40) ALOX15TSHRHIF1AALDH1A1MAPK1
SCHEMBL31254258 0.72 GPR35 (0.34) ALOX15TSHRHIF1AALDH1A1GPR35
SCHEMBL31254216 0.71 ALDH1A1 (0.32) ALOX15TSHRHIF1AALDH1A1MAPT
SCHEMBL31254205 0.71 RBP4 (0.35) ALOX15TSHRHIF1AALDH1A1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 ALOX15 3707/4885TSHR 244/4885HIF1A 2454/4885

“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.