SCHEMBL6695081

SCHEMBL6695081

CC(C)[C@](O)(CCc1ccccc1)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 7/20 0.49
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.44
KEAP1 Q14145 1/20 0.44
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL6302904 1.00 SLC13A5 (0.49) SLC13A5CYP2C19HIF1AKEAP1KMT2A
SCHEMBL6692391 1.00 SLC13A5 (0.49) SLC13A5CYP2C19HIF1AKEAP1KMT2A
Acetamide SCHEMBL7635491 0.94 SLC13A5 (0.44) SLC13A5CYP2C19HIF1AKEAP1KMT2A
SCHEMBL7998719 0.87 SLC13A5 (0.46) SLC13A5KDM4EALDH1A1
SCHEMBL7998721 0.87 SLC13A5 (0.46) SLC13A5KDM4EALDH1A1
SCHEMBL8343697 0.87 FFAR1 (0.57) LMNAFFAR1
SCHEMBL8008297 0.87 FFAR1 (0.57) LMNAFFAR1
SCHEMBL6297597 0.86 SLC13A5 (0.44) SLC13A5CYP2C19KMT2ACYP2D6CYP2C9
SCHEMBL8008239 0.86 SLC13A5 (0.44) SLC13A5
SCHEMBL6692548 0.86 SLC13A5 (0.44) SLC13A5CYP2C19KMT2ACYP2D6CYP2C9

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-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD SLC13A5 4373/4885CYP2C19 932/4885HIF1A 3065/4885

“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.