SCHEMBL3030635

SCHEMBL3030635

CC(C)COC(=O)C(O)CC(=O)OCCO

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
PRKCA P17252 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MGLL Q99685 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5475614 0.87 TSHR (0.42) TSHRPRKCAALDH1A1TDP1L3MBTL1
SCHEMBL5586417 0.85 TSHR (0.37) TSHRMGLL
Diethanolamine SCHEMBL29155782 0.81 PRKCA (0.34) TSHRPRKCAALDH1A1TDP1L3MBTL1
SCHEMBL28742507 0.79 ACHE (0.35) TSHRALDH1A1MGLL
SCHEMBL2529389 0.78 MMP1 (0.42) TSHRPRKCAALDH1A1MGLLTDP1
Ethylene Glycol SCHEMBL3030634 0.78 SMN1; SMN2 (0.41) TSHRALDH1A1
SCHEMBL6100238 0.77 ADRA2A (0.37) TSHRPRKCAALDH1A1MGLLTDP1
SCHEMBL1039111 0.77 ADRA2A (0.37) TSHRPRKCAALDH1A1MGLLTDP1
SCHEMBL27981945 0.77 MMP1 (0.41) TSHRPRKCAALDH1A1MGLLTDP1
Ammonia Solution, Strong SCHEMBL497430 0.77 MMP1 (0.41) TSHRPRKCAALDH1A1MGLLTDP1

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-8562957-B2 Oily hair cosmetics KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2013-10-22 US disclosed
US-20100203003-A1 Oily Hair Cosmetics KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2010-08-12 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-20100203003-A1 Oily Hair Cosmetics H1-0, H1-2, H1-3 TSHR 1973/4885PRKCA 1296/4885ALDH1A1 2116/4885

“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.