SCHEMBL6693514

SCHEMBL6693514

CC(C)C(O)(CCc1ccccc1CO)CC(=O)n1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.34
CYP24A1 Q07973 2/20 0.33
TBXAS1 P24557 4/20 0.32
KDM4E B2RXH2 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
CYP19A1 P11511 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
BRD4 O60885 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 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
SCHEMBL6691020 0.86 HTT (0.36) CYP24A1KDM4EALDH1A1LMNA
SCHEMBL6694813 0.85 CYP24A1 (0.43) CYP24A1TBXAS1KDM4EFAAHMGLL
SCHEMBL6699765 0.79 CYP19A1 (0.42) CYP24A1TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL7638512 0.78 TBXAS1 (0.42) CYP24A1TBXAS1KDM4EPOLBALDH1A1
SCHEMBL7638503 0.78 TBXAS1 (0.42) CYP24A1TBXAS1KDM4EPOLBALDH1A1
SCHEMBL6694672 0.78 CYP11B1 (0.42) FAAHCYP19A1CYP11B1CYP11B2
SCHEMBL6701352 0.77 P2RX7 (0.35)
SCHEMBL6699772 0.77 HMOX1 (0.41) KDM4EALDH1A1
SCHEMBL6694999 0.77 LNPEP (0.35) CYP11B1CYP11B2
SCHEMBL6296754 0.77 SLC13A5 (0.43) SLC13A5CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US claimed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 US claimed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP claimed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO claimed

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 4373/4885CYP24A1 1340/4885TBXAS1 2088/4885

“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.