SCHEMBL13614280

SCHEMBL13614280

CC(C)(C)[Si](C)(C)O[C@H]1CCOc2cc(C=O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAP3K14 Q99558 1/20 0.31
ADRA2A P08913 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
SCHEMBL22473503 0.82 ADRA2A (0.40) ALDH1A1HSD17B10MAP3K14ADRA2A
SCHEMBL20449129 0.81 ADRA2A (0.47) MAP3K14ADRA2A
SCHEMBL20449128 0.81 ADRA2A (0.47) MAP3K14ADRA2A
SCHEMBL31372083 0.80 HTR1A (0.42) ALDH1A1TDP1
SCHEMBL20449102 0.78 SCN9A (0.34) MAP3K14
SCHEMBL20449103 0.78 SCN9A (0.34) MAP3K14
SCHEMBL20269757 0.78 ALDH1A1 (0.31) ALDH1A1HSD17B10TDP1
SCHEMBL13614278 0.78 PDCD1 (0.34) MAP3K14
SCHEMBL4350186 0.77 SMN1; SMN2 (0.36) ALDH1A1HSD17B10TDP1
SCHEMBL4350183 0.77 SMN1; SMN2 (0.36) ALDH1A1HSD17B10TDP1

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-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 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-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 ALDH1A1 794/4885HSD17B10 3167/4885TDP1 3759/4885

“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.