SCHEMBL6566769

SCHEMBL6566769

COCOc1ccc(CC(=O)O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.62
GAA P10253 4/20 0.62
ALDH1A1 P00352 2/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
NPSR1 Q6W5P4 1/20 0.56
PTGS1 P23219 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
LDHA P00338 1/20 0.50
SELL P14151 1/20 0.49
SELP P16109 1/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
LTB4R Q15722 3/20 0.48
LTB4R2 Q9NPC1 3/20 0.48
PPARA Q07869 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL3637864 0.87 CA5A (0.56) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL30049382 0.87 GAA (0.74) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL153055 0.87 GAA (0.74) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL9000738 0.86 ABL1 (0.49) CA5AGAAALDH1A1LMNAHTT
SCHEMBL4070157 0.86 CA5A (0.61) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL3527450 0.86 CA5A (0.64) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL27952523 0.85 GAA (0.72) CA5AGAAALDH1A1TSHRNFKB1
Hydrochloric Acid SCHEMBL2530820 0.85 GAA (0.72) CA5AGAAALDH1A1TSHRNFKB1
SCHEMBL9178046 0.85 FFAR4 (0.55) ALDH1A1LDHANPC1PPARAMEN1
SCHEMBL334173 0.84 SLC22A12 (0.63) CA5AGAAALDH1A1TSHRNFKB1

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CA5A 810/4885GAA 3305/4885ALDH1A1 907/4885

“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.