SCHEMBL990347

SCHEMBL990347

CNCc1ccc(OCc2ccc(OC)cc2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2A P28223 1/20 0.44
CCR5 P51681 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
APP P05067 3/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BCHE P06276 1/20 0.42
MAOB P27338 2/20 0.42
NTRK1 P04629 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
SCHEMBL6183033 0.85 MAPT (0.51) MAPTSMN1; SMN2KDM4EALDH1A1HTR7
SCHEMBL3931258 0.82 CCR5 (0.56) MAPTTP53CCR5APPNPC1
SCHEMBL5940467 0.81 MAPT (0.64) MAPTSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL30181542 0.81 L3MBTL1 (0.52) MAPTTP53SMN1; SMN2L3MBTL1KDM4E
SCHEMBL24855495 0.81 L3MBTL1 (0.52) MAPTTP53SMN1; SMN2L3MBTL1KDM4E
SCHEMBL29715697 0.79 CCR5 (0.49) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL24504445 0.79 CCR5 (0.49) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL18623184 0.77 MAOB (0.60) SMN1; SMN2HDAC8APPMTNR1AMTNR1B
SCHEMBL31371448 0.77 KMT2A (0.56) MAPTTP53SMN1; SMN2L3MBTL1KDM4E
SCHEMBL30882378 0.77 KMT2A (0.56) MAPTTP53SMN1; SMN2L3MBTL1KDM4E

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-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 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-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS HSD17B12, CYP2A13, CYP27A1 MAPT 4135/4885TP53 4034/4885SMN1; SMN2 3995/4885

“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.