SCHEMBL6716593

SCHEMBL6716593

C[C@](N)(Cc1cc(O)ccc1O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.60
EGFR P00533 9/20 0.59
ALDH1A1 P00352 5/20 0.59
ALOX15 P16050 4/20 0.59
HSD17B10 Q99714 4/20 0.59
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 3/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 2/20 0.59
PTGS2 P35354 2/20 0.59
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
FYN P06241 1/20 0.59
GAA P10253 1/20 0.59
APEX1 P27695 1/20 0.59
ADRA1A P35348 1/20 0.59
MTOR P42345 1/20 0.59

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
SCHEMBL6716600 1.00 BLM (0.60) BLMEGFRALDH1A1ALOX15HSD17B10
SCHEMBL6714802 0.87 BLM (0.60) BLMEGFRALDH1A1ALOX15HSD17B10
SCHEMBL17774751 0.87 KDM4E (0.59) BLMEGFRALDH1A1ALOX15HSD17B10
SCHEMBL6714798 0.87 BLM (0.60) BLMEGFRALDH1A1ALOX15HSD17B10
SCHEMBL12679277 0.84 BLM (0.57) BLMEGFRALDH1A1ALOX15HSD17B10
SCHEMBL9851476 0.83 BLM (0.55) BLMEGFRALDH1A1ALOX15HSD17B10
SCHEMBL9847997 0.83 BLM (0.55) BLMEGFRALDH1A1ALOX15HSD17B10
SCHEMBL22074721 0.82 BLM (0.58) BLMEGFRALDH1A1ALOX15HSD17B10
SCHEMBL6714972 0.81 EGFR (0.42) BLMEGFRALDH1A1ALOX15HSD17B10
SCHEMBL6714968 0.81 EGFR (0.42) BLMEGFRALDH1A1ALOX15HSD17B10

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 BLM 4877/4885EGFR 3716/4885ALDH1A1 100/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH BLM 4881/4885EGFR 3906/4885ALDH1A1 114/4885

“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.