SCHEMBL7080696

SCHEMBL7080696

CCCN(C1=C(O)CC(c2ccccc2)(c2ccc(OCCO)cc2)OC1=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 5/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 3/20 0.34
CYP19A1 P11511 1/20 0.33
MAPT P10636 4/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL7075153 0.89 LDHA (0.35) LDHAPPARGPPARAALDH1A1RECQL
SCHEMBL7074631 0.89 LDHA (0.34) LDHALDHBPPARGPPARAALOX5
SCHEMBL7074205 0.84 UTS2R (0.36) PPARGPPARAGAAMAPTRAB9A
SCHEMBL7075204 0.82 UTS2R (0.35) PPARGPPARAALDH1A1GAAMAPT
SCHEMBL7077618 0.79 TLR7 (0.33) ALDH1A1MAPTLMNAHSD17B10
SCHEMBL7078827 0.78 DRD2 (0.34) GAAMAPTRAB9AKMT2AMEN1
SCHEMBL7077614 0.77 UTS2R (0.35) PPARGMAPTRAB9AKMT2AMEN1
SCHEMBL7074622 0.73 UTS2R (0.33) BCHEACHE
SCHEMBL7080444 0.72 LDHA (0.35) LDHARAB9A
SCHEMBL7077453 0.71 ESR1 (0.33)

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 LDHA 2167/4885LDHB 1995/4885PPARG 4813/4885

“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.