SCHEMBL6720385

SCHEMBL6720385

CC(c1cc(O)ccc1O)[C@](C)(N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 3/20 0.42
TYR P14679 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 2/20 0.42
NR1I2 O75469 1/20 0.42
MIF P14174 1/20 0.42
HTT P42858 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP1A2 P05177 4/20 0.40
PTGS2 P35354 3/20 0.40
CYP3A4 P08684 3/20 0.40
POLB P06746 3/20 0.40
BLM P54132 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL9317724 0.84 HSD17B10 (0.43) HSD17B10ALDH1A1ALOX15TYRCYP2C9
SCHEMBL23646548 0.80 ALDH1A1 (0.40) HSD17B10ALDH1A1ALOX15TYRCYP2C9
SCHEMBL6724468 0.80 HSD17B10 (0.37) HSD17B10ALDH1A1ALOX15TYRCYP2C9
SCHEMBL6717504 0.78 HSD17B10 (0.38) HSD17B10ALDH1A1ALOX15TYRCYP2C9
SCHEMBL27665577 0.77 HSD17B10 (0.47) HSD17B10ALDH1A1ALOX15TYRCYP2C9
SCHEMBL14308428 0.77 ALDH1A1 (0.52) HSD17B10ALDH1A1ALOX15TYRCYP2C9
SCHEMBL22074723 0.76 BLM (0.47) HSD17B10ALDH1A1ALOX15CYP2C9LMNA
SCHEMBL22074727 0.76 BLM (0.47) HSD17B10ALDH1A1ALOX15CYP2C9LMNA
SCHEMBL25597560 0.76 BLM (0.47) HSD17B10ALDH1A1ALOX15CYP2C9LMNA
SCHEMBL6716367 0.76 ESR1 (0.38) HSD17B10ALDH1A1ALOX15TYRCYP2C9

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 12 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
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 268/4885ALDH1A1 100/4885ALOX15 1960/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH HSD17B10 392/4885ALDH1A1 114/4885ALOX15 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.