SCHEMBL7080698

SCHEMBL7080698

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MDH1 P40925 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL7077370 0.90 OPRM1 (0.34) ESRRGOPRM1GLI1GLI2OPRD1
SCHEMBL7077392 0.88 GLI1 (0.35) ESRRGSMN1; SMN2MAPTRAB9ALMNA
SCHEMBL7077467 0.88 OPRM1 (0.34) ESRRGSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL6295928 0.86 ESRRG (0.32) ESRRGSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL7081436 0.85 MTNR1B (0.32) ESRRGSMN1; SMN2LMNAOPRM1OPRD1
SCHEMBL7077373 0.85 LMNA (0.33) ESRRGSMN1; SMN2LMNA
SCHEMBL6295957 0.85 ESR1 (0.36) ESRRGSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL7078765 0.82 OPRM1 (0.39) SMN1; SMN2CYP4F2CYP4A11ALDH1A1TP53
SCHEMBL7078739 0.82 MTNR1A (0.31) P4HB
SCHEMBL7140943 0.81 ESRRG (0.34) ESRRGSMN1; SMN2MAPTRAB9ALMNA

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 ESRRG 4476/4885SMN1; SMN2 4202/4885MAPT 1165/4885

“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.