SCHEMBL6724622

SCHEMBL6724622

CCCCc1ccc(C(=O)OC)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.69
ALDH1A1 P00352 3/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
MAPT P10636 2/20 0.69
KDM4E B2RXH2 2/20 0.69
MEN1 O00255 1/20 0.69
LMNA P02545 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
PKM P14618 1/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.69
THPO P40225 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
KMT2A Q03164 1/20 0.69
HIF1A Q16665 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
MAPK1 P28482 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.51

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
SCHEMBL20178613 0.94 MAPT (0.61) NFKB1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL20178643 0.94 MAPT (0.61) NFKB1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL20178627 0.94 MAPT (0.61) NFKB1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL21882778 0.90 MAPK1 (0.57) NFKB1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL8606381 0.89 NFKB1 (0.71) NFKB1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL1093083 0.88 CYP4A11 (0.59) NFKB1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL31753771 0.86 CYP4A11 (0.60) NFKB1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL22335925 0.86 CYP4A11 (0.60) NFKB1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL3597062 0.86 MAPK1 (0.53) NFKB1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL27676051 0.86 NFKB1 (0.68) NFKB1ALDH1A1L3MBTL1MAPTKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846291-B2 Resist composition, method of forming resist pattern, and new compound TOKYO OHKA KOGYO CO. LTD. (JP) 2014-09-30 US disclosed
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
WO-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 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 NFKB1 3277/4885ALDH1A1 100/4885L3MBTL1 1460/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH NFKB1 3914/4885ALDH1A1 114/4885L3MBTL1 2004/4885

“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.