SCHEMBL7007175

SCHEMBL7007175

[c]1cccc(OCc2ccccc2)c1.[c]1cccc(Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MAOA P21397 2/20 0.43
APP P05067 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL95949 0.93 MAOB (0.50) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL4914064 0.89 MAOB (0.55) MAOBMAOAALOX5BCHECYP4F2
SCHEMBL27810352 0.87 MAOB (0.51) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL919605 0.86 MAOB (0.50) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL61732 0.84 LTA4H (0.57) MAOBMAOARAB9AGSTP1
SCHEMBL28072263 0.82 LTA4H (0.55) MAOBMAOARAB9AGSTP1
SCHEMBL5657715 0.80 TSHR (0.45) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL14813932 0.79 TSHR (0.44) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL27493063 0.78 LTA4H (0.50) MAOBMAOARAB9AGSTP1
SCHEMBL920100 0.78 MAOB (0.53) MAOBMAOAAPPNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 US disclosed
EP-1140938-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF Princeton University (US) 2001-10-10 EP disclosed
WO-2000042042-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF PRINCETON UNIVERSITY (US) 2000-07-20 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-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC MAOB 3907/4885LMNA 4399/4885CYP1A2 4012/4885

“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.