SCHEMBL4031952

SCHEMBL4031952

CCCc1ccc(O)c(CC(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
EGFR P00533 3/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
BACE1 P56817 1/20 0.49
ALOX5 P09917 3/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
TLR7 Q9NYK1 2/20 0.45
HSP90AB1 P08238 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL17749006 0.90 KAT8 (0.54) ALDH1A1GAAGFEREGFRBACE1
SCHEMBL3586640 0.88 ALDH1A1 (0.60) ALDH1A1GAAGFEREGFRBACE1
SCHEMBL8145260 0.87 ALDH1A1 (0.68) ALDH1A1GAAGFEREGFRCYP4F2
SCHEMBL1022604 0.79 BACE1 (0.72) CNR1CNR2BACE1ALOX5GABRA1
SCHEMBL16048663 0.79 BACE1 (0.58) ALDH1A1GAAGFERBACE1ALOX5
SCHEMBL19079025 0.79 CA1 (0.45) EGFRCNR1CNR2BACE1ALOX5
SCHEMBL20259126 0.79 KAT8 (0.51) ALDH1A1BACE1ALOX5CYP1A2CYP3A4
SCHEMBL30605142 0.78 EGFR (0.75) ALDH1A1GAAGFEREGFRHSP90AB1
SCHEMBL3545527 0.78 EGFR (0.75) ALDH1A1GAAGFEREGFRHSP90AB1
SCHEMBL12396464 0.78 CYP4F2 (0.72) ALDH1A1GAAGFERCYP4F2CYP4A11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK ALDH1A1 176/4885GAA 1003/4885GFER 526/4885

“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.