SCHEMBL6714683

SCHEMBL6714683

O=C(O)c1cc(C(=O)/C=C/c2ccccc2)c(O)cc1O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
CYP3A4 P08684 1/20 0.67
THRB P10828 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
GUSB P08236 1/20 0.67
BCHE P06276 1/20 0.65
CYP2C19 P33261 1/20 0.65
AR P10275 1/20 0.63
MAOB P27338 1/20 0.63
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL6714688 1.00 MAPT (0.67) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL6714630 0.89 CYP3A4 (0.69) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL6714628 0.89 CYP3A4 (0.69) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL13780775 0.87 MAPT (0.63) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL6724646 0.86 MAOB (0.67) MAPTKDM4EMEN1ALDH1A1MAPK1
SCHEMBL31412225 0.86 MAPT (0.61) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL29011938 0.84 MAPT (0.63) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL30000230 0.82 AR (0.75) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL30000672 0.82 MAPT (0.65) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL30000202 0.82 MAOB (0.70) MAPTKDM4EMEN1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH MAPT 1612/4885KDM4E 1203/4885MEN1 1837/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH MAPT 1920/4885KDM4E 935/4885MEN1 1138/4885

“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.