SCHEMBL6719985

SCHEMBL6719985

C[C@](N)(Cc1cc(O)c(C(F)(F)F)cc1O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
ALOX15 P16050 4/20 0.48
BLM P54132 3/20 0.48
CYP1A2 P05177 3/20 0.48
POLB P06746 3/20 0.48
CYP3A4 P08684 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
USP2 O75604 3/20 0.48
MEN1 O00255 2/20 0.48
APEX1 P27695 2/20 0.48
RECQL P46063 2/20 0.48
PMP22 Q01453 2/20 0.48
KMT2A Q03164 2/20 0.48
EGFR P00533 1/20 0.48
FYN P06241 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL6724817 0.82 MEN1 (0.36) KDM4EALDH1A1MAPTALOX15BLM
SCHEMBL11398572 0.81 TDP1 (0.57) KDM4EALDH1A1MAPTALOX15BLM
SCHEMBL13087006 0.81 TDP1 (0.57) KDM4EALDH1A1MAPTALOX15BLM
SCHEMBL13086848 0.81 TDP1 (0.57) KDM4EALDH1A1MAPTALOX15BLM
SCHEMBL11394224 0.81 TDP1 (0.57) KDM4EALDH1A1MAPTALOX15BLM
SCHEMBL6716627 0.80 ALDH1A1 (0.35) KDM4EALDH1A1MAPTALOX15BLM
Hydrochloric Acid SCHEMBL11394769 0.80 TDP1 (0.55) KDM4EALDH1A1MAPTALOX15BLM
SCHEMBL6716549 0.78 ARG1 (0.35) KDM4EALDH1A1MAPTALOX15BLM
Methoxymethane SCHEMBL11400056 0.77 TDP1 (0.53) KDM4EALDH1A1MAPTALOX15BLM
SCHEMBL11442423 0.76 TDP1 (0.51) KDM4EALDH1A1MAPTALOX15BLM

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 7 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
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 KDM4E 1203/4885ALDH1A1 100/4885MAPT 1612/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH KDM4E 935/4885ALDH1A1 114/4885MAPT 1920/4885

“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.