SCHEMBL4914064

SCHEMBL4914064

[c]1cccc(Oc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
BCHE P06276 4/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
MAOA P21397 1/20 0.48
NR4A2 P43354 1/20 0.48
ALOX5 P09917 1/20 0.46
LCK P06239 1/20 0.46
GRM5 P41594 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
SMPD1 P17405 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7007175 0.89 MAOB (0.45) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL95949 0.85 MAOB (0.50) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL28237963 0.85 MAOB (0.72) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL2265075 0.84 MAOB (0.58) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL9261806 0.84 MAOB (0.48) MAOBMAOAMEN1KMT2A
SCHEMBL16886110 0.84 MAOB (0.70) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL919605 0.82 MAOB (0.50) MAOBBCHEMAOANR4A2ALOX5
SCHEMBL27707562 0.82 MRGPRX4 (0.52) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL3065928 0.80 MAOB (0.58) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL1268719 0.80 MAOB (0.81) MAOBBCHECYP4F2CYP4A11MAOA

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-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US 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-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 MAOB 4407/4885BCHE 4014/4885CYP4F2 2720/4885

“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.