SCHEMBL3487731

SCHEMBL3487731

CCCCOC(=O)c1cccc(CC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP2C9 P11712 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
PLA2G4B P0C869 1/20 0.52
LMNA P02545 3/20 0.51
ESR1 P03372 6/20 0.51
CYP2D6 P10635 1/20 0.51
NR1H2 P55055 1/20 0.51
RNASEL Q05823 1/20 0.51
CYP4F2 P78329 1/20 0.51

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
SCHEMBL10706157 0.88 L3MBTL1 (0.57) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL14793832 0.86 CYP4F2 (0.56) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL9770912 0.85 CYP4F2 (0.57) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL15344564 0.85 CYP4F2 (0.61) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL481385 0.85 CYP4F2 (0.64) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL111861 0.85 L3MBTL1 (0.64) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL27537771 0.84 TSHR (0.54) TSHRL3MBTL1TDP1MAPK1CYP3A4
Lithium SCHEMBL30876327 0.83 L3MBTL1 (0.62) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL7189257 0.83 L3MBTL1 (0.62) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL15888238 0.83 SMN1; SMN2 (0.55) TSHRL3MBTL1TDP1MAPK1CYP3A4

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-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TSHR 634/4885L3MBTL1 3531/4885TDP1 4746/4885

“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.