SCHEMBL7143558

SCHEMBL7143558

CCCN(C1=C(O)CC(CCc2ccccc2)(c2ccccc2)OC1=O)c1cccc(OCCO)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
UTS2R Q9UKP6 2/20 0.34
ADAM17 P78536 1/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7078827 0.91 DRD2 (0.34) UTS2RBCHEACHE
SCHEMBL7074205 0.91 UTS2R (0.36) UTS2RBCHEPPARGPPARA
SCHEMBL7077614 0.90 UTS2R (0.35) UTS2RBCHEACHEPPARG
SCHEMBL7074622 0.89 UTS2R (0.33) MTNR1AMTNR1BUTS2RBCHEACHE
SCHEMBL7079765 0.87 UTS2R (0.36) MTNR1BUTS2R
SCHEMBL7077918 0.86 UTS2R (0.36) UTS2R
SCHEMBL7074566 0.86 LDHA (0.35) UTS2R
SCHEMBL7077656 0.85 UTS2R (0.36) UTS2R
SCHEMBL7073406 0.83 UTS2R (0.34) UTS2R
SCHEMBL7078739 0.83 MTNR1A (0.31) MTNR1AMTNR1BBCHECYP2D6

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 4693/4885UTS2R 3413/4885

“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.