SCHEMBL2963224

SCHEMBL2963224

CC(C)OCCOC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PGD P52209 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2962959 0.94 TSHR (0.36) TSHRHTTTP53KDM4EALDH1A1
SCHEMBL2953929 0.84 ALDH1A1 (0.35) TSHRKDM4EALDH1A1SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL27732641 0.78 TSHR (0.42) TSHRHTTALDH1A1PGDNPY1R
SCHEMBL28001738 0.78 TSHR (0.42) TSHRHTTTP53KDM4EALDH1A1
SCHEMBL15512219 0.78 TSHR (0.42) TSHRHTTTP53ALDH1A1
SCHEMBL2962715 0.77 TSHR (0.37) TSHRHTTTP53ALDH1A1PGD
Cadaverine Tartrate SCHEMBL2963513 0.77 MEN1 (0.41) TSHRHTTTP53KDM4EALDH1A1
Cadaverine Tartrate SCHEMBL2954308 0.77 MEN1 (0.41) TSHRHTTTP53KDM4EALDH1A1
SCHEMBL2963222 0.77 TSHR (0.37) TSHRHTTTP53ALDH1A1
SCHEMBL2859729 0.77 TSHR (0.46) TSHRHTTALDH1A1SLC6A2TDP1

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-7766978-B2 Acidic hair dyeing method KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2010-08-03 US disclosed
US-20090100609-A1 ACIDIC HAIR DYE COMPOSITION KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2009-04-23 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-20090100609-A1 ACIDIC HAIR DYE COMPOSITION H1-0, MRM1, H1-4 TSHR 3886/4885HTT 3268/4885TP53 1237/4885

“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.