SCHEMBL6728676

SCHEMBL6728676

COc1ccccc1COCCCOc1ccc(Br)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
L3MBTL1 Q9Y468 9/20 0.52
HPGD P15428 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGER1 P34995 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL6719951 0.88 L3MBTL1 (0.47) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL6719674 0.84 L3MBTL1 (0.46) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL5710347 0.83 MAPT (0.51) MAPTL3MBTL1HPGDIDO1ATM
SCHEMBL2497096 0.82 ATM (0.51) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL6721507 0.79 SMN1; SMN2 (0.43) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL17893778 0.78 L3MBTL1 (0.53) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL6720057 0.77 L3MBTL1 (0.51) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL6721503 0.77 ALDH1A1 (0.51) HPGDSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL6720004 0.76 L3MBTL1 (0.42) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL1941923 0.76 IDO1 (0.53) L3MBTL1SMN1; SMN2HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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 (1 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 MAPT 3937/4885L3MBTL1 4859/4885HPGD 256/4885

“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.