SCHEMBL7078739

SCHEMBL7078739

CCCN(C1=C(O)CC(C)(CCc2ccc(O)cc2)OC1=O)c1cccc(OCCO)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
SLC13A5 Q86YT5 1/20 0.31
WRN Q14191 1/20 0.31
CYP2D6 P10635 1/20 0.30
BCHE P06276 3/20 0.30
FFAR1 O14842 1/20 0.30
ALDH2 P05091 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
P4HB P07237 1/20 0.30
KMT2A Q03164 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
SCHEMBL7077467 0.87 OPRM1 (0.34)
SCHEMBL7081436 0.86 MTNR1B (0.32) MTNR1B
SCHEMBL6295657 0.85 ESR1 (0.35)
SCHEMBL6295928 0.85 ESRRG (0.32)
SCHEMBL7077373 0.84 LMNA (0.33)
SCHEMBL6295957 0.84 ESR1 (0.36) WRNBCHE
SCHEMBL7143558 0.83 MTNR1A (0.37) MTNR1AMTNR1BCYP2D6BCHE
SCHEMBL7080698 0.82 ESRRG (0.35) P4HB
SCHEMBL7077370 0.82 OPRM1 (0.34)
SCHEMBL7078827 0.78 DRD2 (0.34) BCHEKMT2A

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
US-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US claimed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US 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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP MTNR1A 4748/4885MTNR1B 4693/4885SLC13A5 3182/4885

“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.