SCHEMBL6718655

SCHEMBL6718655

C[C@](N)(Cc1ccc(O)c(Cc2ccccc2)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.67
HPGD P15428 3/20 0.67
ALOX15 P16050 3/20 0.67
HSD17B10 Q99714 3/20 0.67
BLM P54132 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP1A2 P05177 2/20 0.67
POLB P06746 2/20 0.67
MAPT P10636 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
USP2 O75604 1/20 0.67
EGFR P00533 1/20 0.67
FYN P06241 1/20 0.67
GAA P10253 1/20 0.67
APEX1 P27695 1/20 0.67
ADRA1A P35348 1/20 0.67
PTGS2 P35354 1/20 0.67

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
SCHEMBL6340510 0.85 KDM4E (0.74) CYP3A4HPGDALOX15HSD17B10BLM
SCHEMBL6340509 0.85 KDM4E (0.74) CYP3A4HPGDALOX15HSD17B10BLM
SCHEMBL6717729 0.83 BLM (0.51) CYP3A4HPGDALOX15HSD17B10BLM
SCHEMBL6341702 0.81 ALOX15 (0.67) CYP3A4HPGDALOX15HSD17B10BLM
SCHEMBL6341699 0.81 ALOX15 (0.67) CYP3A4HPGDALOX15HSD17B10BLM
Methyldopa SCHEMBL29352376 0.81 KDM4E (1.00) CYP3A4HPGDALOX15HSD17B10BLM
Methyldopa SCHEMBL30176814 0.81 KDM4E (1.00) CYP3A4HPGDALOX15HSD17B10BLM
Methyldopa SCHEMBL1172822 0.81 KDM4E (1.00) CYP3A4HPGDALOX15HSD17B10BLM
Methyldopa (Racemic) SCHEMBL196981 0.81 KDM4E (1.00) CYP3A4HPGDALOX15HSD17B10BLM
Methyldopa SCHEMBL34003 0.81 KDM4E (1.00) CYP3A4HPGDALOX15HSD17B10BLM

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 6 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
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO 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 (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 CYP3A4 1387/4885HPGD 150/4885ALOX15 1960/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH CYP3A4 2033/4885HPGD 205/4885ALOX15 1824/4885

“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.