SCHEMBL647742

SCHEMBL647742

CCOC(=O)C(C(=O)C(F)(F)F)(C(=O)C(F)(F)F)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
PKM P14618 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN2 P17706 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL10825861 0.74 ALDH1A1 (0.40) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL9283162 0.73 PKM (0.39) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL60813 0.73
SCHEMBL27889607 0.73 ALDH1A1 (0.48) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL25252821 0.72 CYP4F2 (0.40) TSHRPKMALDH1A1KDM4EMEN1
SCHEMBL28502746 0.71 ALDH1A1 (0.37) TSHRPKMALDH1A1KDM4EMEN1
Ammonia Solution, Strong SCHEMBL5963098 0.71 ALDH1A1 (0.46) PKMALDH1A1KDM4EMEN1KMT2A
Methyl Alcohol SCHEMBL28596826 0.71 ALDH1A1 (0.46) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL28496089 0.71 ALDH1A1 (0.46) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL25271339 0.71 ALDH1A1 (0.46) PKMALDH1A1KDM4EMEN1KMT2A

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-8119839-B2 Carboxylic acid and antidepressant composition containing the same as active ingredient YAMADA APICULTURE CENTER, INC. (JP) 2012-02-21 US disclosed
US-20100184860-A1 Novel Carboxylic Acid and Antidepressant Composition Containing the Same as Active Ingredient YAMADA APICULTURE CENTER, INC. (JP) 2010-07-22 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-20100184860-A1 Novel Carboxylic Acid and Antidepressant Composition Containing the Same as Active Ingredient HSD17B11, HCAR2, HSD11B1 TSHR 2525/4885PKM 2797/4885ALDH1A1 109/4885

“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.