SCHEMBL6720093

SCHEMBL6720093

CN(C)[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.62
KDM4E B2RXH2 6/20 0.62
TDP1 Q9NUW8 4/20 0.62
MAPT P10636 4/20 0.62
HPGD P15428 4/20 0.62
POLB P06746 3/20 0.62
CYP3A4 P08684 3/20 0.62
ALOX15 P16050 3/20 0.62
ALDH1A1 P00352 3/20 0.62
BLM P54132 3/20 0.62
PMP22 Q01453 3/20 0.62
CYP1A2 P05177 2/20 0.62
GAA P10253 2/20 0.62
APEX1 P27695 2/20 0.62
USP2 O75604 2/20 0.62
EGFR P00533 2/20 0.62
FYN P06241 2/20 0.62
ADRA1A P35348 2/20 0.62
PTGS2 P35354 2/20 0.62
RECQL P46063 2/20 0.62

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
SCHEMBL6720098 1.00 HSD17B10 (0.62) HSD17B10KDM4ETDP1MAPTHPGD
SCHEMBL5310285 0.83 HSD17B10 (0.57) HSD17B10KDM4ETDP1MAPTHPGD
SCHEMBL10108985 0.83 HSD17B10 (0.61) HSD17B10KDM4ETDP1MAPTHPGD
SCHEMBL10124214 0.82 HSD17B10 (0.64) HSD17B10KDM4ETDP1MAPTHPGD
SCHEMBL12608313 0.82 HSD17B10 (0.52) HSD17B10KDM4ETDP1MAPTHPGD
SCHEMBL6674277 0.81 BLM (0.59) HSD17B10KDM4ETDP1MAPTHPGD
SCHEMBL6725266 0.81 BLM (0.59) HSD17B10KDM4ETDP1MAPTHPGD
SCHEMBL13644181 0.80 KDM4E (0.70) HSD17B10KDM4ETDP1MAPTHPGD
SCHEMBL8028304 0.79 FDPS (0.46) HSD17B10KDM4ETDP1MAPTHPGD
SCHEMBL498294 0.78 HIF1A (0.50) CYP3A4ALOX15ALDH1A1CYP1A2RECQL

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 9 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
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
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
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 disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO 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 HSD17B10 268/4885KDM4E 1203/4885TDP1 776/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH HSD17B10 392/4885KDM4E 935/4885TDP1 1535/4885

“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.