SCHEMBL6493868

SCHEMBL6493868

CCOC(=O)C(O)(CC(=O)c1ccc(C)c(F)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CHRM1 P11229 1/20 0.37
NOTUM Q6P988 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 2/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL1925489 0.93 ALDH1A1 (0.46) NPSR1POLBALDH1A1HDAC1HDAC6
SCHEMBL1926058 0.91 NPSR1 (0.47) NPSR1POLBALDH1A1MAPTKMT2A
SCHEMBL1925342 0.90 POLB (0.46) NPSR1POLBALDH1A1MAPTKMT2A
SCHEMBL1924400 0.84 ALDH1A1 (0.47) NPSR1POLBALDH1A1MAPTKMT2A
SCHEMBL1925624 0.83 ALDH1A1 (0.46) NPSR1POLBALDH1A1MAPTKMT2A
SCHEMBL1925814 0.77 POLB (0.56) NPSR1POLBALDH1A1MAPTKMT2A
SCHEMBL1925754 0.77 CES2 (0.41) NPSR1POLBALDH1A1MAPTKMT2A
SCHEMBL14101816 0.76 ALDH1A1 (0.48) NPSR1POLBALDH1A1HDAC1HDAC6
SCHEMBL27647977 0.76 HDAC1 (0.45) NPSR1POLBALDH1A1HDAC1HDAC6
SCHEMBL603415 0.73 CA12 (0.59) POLBALDH1A1HDAC1HDAC6MAPT

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-6869954-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-22 US disclosed
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2003-06-26 US 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-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 NPSR1 1744/4885POLB 3220/4885ALDH1A1 164/4885

“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.