SCHEMBL1007995

SCHEMBL1007995

CCCCc1nn(Cc2ccc(C(=O)O)cc2)c2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.47
AGTR1 P30556 5/20 0.45
AGTR2 P50052 5/20 0.45
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RARA P10276 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 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
SCHEMBL1007283 0.89 KDM4E (0.45) KDM4ERAB9ATDP1L3MBTL1MEN1
SCHEMBL1005669 0.87 GAA (0.48) AGTR1AGTR2RAB9AMEN1KMT2A
SCHEMBL1008169 0.86 HPGD (0.47) KDM4ERAB9AL3MBTL1MEN1ALDH1A1
SCHEMBL1007634 0.78 PTGER4 (0.44) KDM4ERAB9ATDP1L3MBTL1MEN1
SCHEMBL13521117 0.76 LMNA (0.62) ALDH1A1MAPT
SCHEMBL1007553 0.75 HRH3 (0.48) KDM4ERAB9AL3MBTL1MEN1ALDH1A1
SCHEMBL10479394 0.74 MAPT (0.48) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL8877953 0.74 RARB (0.44) RARBAGTR1AGTR2MEN1ALDH1A1
SCHEMBL8410310 0.74 PTGER4 (0.53) AGTR1AGTR2
SCHEMBL5806383 0.71 FABP4 (0.49) RAB9AALDH1A1MAPTKMT2A

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 RARB 378/4885AGTR1 98/4885AGTR2 204/4885

“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.