SCHEMBL2953313

SCHEMBL2953313

CCCOCCOC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL2960204 1.00 TSHR (0.39) TSHRHSD17B10ALDH1A1KDM4EHCAR2
SCHEMBL2955425 0.89 USP2 (0.37) TSHRHSD17B10ALDH1A1HCAR2HTT
SCHEMBL2959188 0.89 TSHR (0.50) TSHRHSD17B10ALDH1A1KDM4ETP53
SCHEMBL2859729 0.88 TSHR (0.46) TSHRHSD17B10ALDH1A1HCAR2TDP1
SCHEMBL2959251 0.86 TSHR (0.52) TSHRHSD17B10ALDH1A1THRBHTT
Ammonia Solution, Strong SCHEMBL21219122 0.86 TSHR (0.43) TSHRALDH1A1HCAR2TDP1HTT
Cadaverine Tartrate SCHEMBL2953154 0.82 MEN1 (0.45) TSHRHSD17B10ALDH1A1TDP1THRB
Water SCHEMBL28203287 0.82 TSHR (0.40) TSHRALDH1A1HCAR2TDP1HTT
Cadaverine Tartrate SCHEMBL2952336 0.82 MEN1 (0.45) TSHRHSD17B10ALDH1A1TDP1THRB
SCHEMBL2960158 0.81 TSHR (0.36) TSHRHSD17B10ALDH1A1TP53HIF1A

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 3886/4885HSD17B10 182/4885ALDH1A1 81/4885

“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.