SCHEMBL3909351

SCHEMBL3909351

COCOc1cccc(C(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.43
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
UGT2B7 P16662 1/20 0.42
FFAR1 O14842 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3151292 0.86 KDM4E (0.55) TSHRKDM4EL3MBTL1FFAR1ALDH1A1
SCHEMBL27965449 0.84 KDM4E (0.43) AOC3TSHRKDM4EL3MBTL1FFAR1
SCHEMBL6978184 0.83 AOC3 (0.48) AOC3TSHRL3MBTL1FFAR1MAPK1
SCHEMBL1548251 0.83 AOC3 (0.48) AOC3TSHRL3MBTL1FFAR1MAPK1
SCHEMBL8590346 0.83 AOC3 (0.48) AOC3TSHRL3MBTL1FFAR1MAPK1
SCHEMBL6975924 0.83 AOC3 (0.48) AOC3TSHRL3MBTL1FFAR1MAPK1
SCHEMBL6055352 0.82 TP53 (0.52) TSHRKDM4EL3MBTL1UGT2B7MAPK1
SCHEMBL15074874 0.82 AOC3 (0.50) AOC3KDM4EL3MBTL1MAPK1LMNA
SCHEMBL27569844 0.82 PTGS1 (0.49) KDM4EL3MBTL1FFAR1ALDH1A1LMNA
SCHEMBL4392498 0.82 BRD4 (0.39) AOC3TSHRUGT2B7FFAR1MAPK1

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
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 AOC3 455/4885TSHR 368/4885KDM4E 3120/4885

“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.