SCHEMBL12734036

SCHEMBL12734036

Cc1ccc(Oc2ccc(N)c(OCc3ccccc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAOB P27338 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 1/20 0.45
TEAD4 Q15561 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
AR P10275 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
APP P05067 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL30058080 0.91 MAOB (0.50) FFAR1MAPTL3MBTL1MAOBGAA
SCHEMBL647614 0.91 MAOB (0.50) FFAR1MAPTL3MBTL1MAOBGAA
SCHEMBL13665665 0.85 MAOB (0.42) FFAR1MAPTL3MBTL1MAOBTDP1
SCHEMBL3995038 0.85 MAPT (0.53) MAPTL3MBTL1MAOBTDP1GAA
SCHEMBL12734151 0.84 LIPE (0.41) MAPTL3MBTL1MAOBTDP1GAA
Hydrochloric Acid SCHEMBL9732977 0.83 MAPT (0.51) MAPTL3MBTL1MAOBTDP1GAA
SCHEMBL4053551 0.83 MAOB (0.59) MAPTL3MBTL1MAOBGAASMN1; SMN2
SCHEMBL13047783 0.83 FFAR1 (0.46) FFAR1MAPTL3MBTL1TDP1GAA
SCHEMBL7004629 0.83 MAOB (0.53) FFAR1MAPTL3MBTL1MAOBGAA
SCHEMBL563591 0.83 CA12 (0.48) FFAR1SMN1; SMN2RAB9AARPTGER1

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-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 FFAR1 509/4885MAPT 3906/4885L3MBTL1 3978/4885

“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.