SCHEMBL12423217

SCHEMBL12423217

COc1ccc(-c2ccc(COc3ccc(F)cc3)c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
GSK3B P49841 2/20 0.45
BACE1 P56817 2/20 0.45
PTGER4 P35408 1/20 0.45
FLT3 P36888 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
NAAA Q02083 1/20 0.42
FFAR1 O14842 1/20 0.42
GYS1 P13807 1/20 0.42
CYP11B1 P15538 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
SCHEMBL12719271 0.79 USP7 (0.45) MAOBPOLBL3MBTL1PTGER4KMT2A
SCHEMBL13586571 0.79 POLB (0.40) MAOBPOLBL3MBTL1PTGER4NPC1
SCHEMBL19604515 0.78 MAOB (0.57) MAOBALDH1A1GAAGSK3BBACE1
SCHEMBL2293149 0.78 RAB9A (0.46) MAOBNPC1RAB9ACYP11B1CYP11B2
SCHEMBL2298426 0.78 CYP11B1 (0.46) MAOBALDH1A1NPC1RAB9ANAAA
Hydrochloric Acid SCHEMBL27900880 0.76 MAOB (0.56) MAOBALDH1A1GAAGSK3BBACE1
SCHEMBL12823084 0.76 FFAR1 (0.43) POLBL3MBTL1ALDH1A1GAAPTGER4
SCHEMBL13654035 0.76 PTGER4 (0.40) MAOBPOLBL3MBTL1ALDH1A1GAA
SCHEMBL3607576 0.76 NPC1 (0.64) MAOBGSK3BFLT3NPC1RAB9A
SCHEMBL11977676 0.76 APP (0.47) MAOBGAAKMT2AMEN1NAAA

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-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 MAOB 999/4885POLB 3655/4885L3MBTL1 3300/4885

“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.