SCHEMBL2962959

SCHEMBL2962959

CC(C)OCCOCCOC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 4/20 0.31
TP53 P04637 3/20 0.31
HIF1A Q16665 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PGD P52209 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
SCHEMBL2963224 0.94 TSHR (0.40) TSHRALDH1A1TP53KDM4EHTT
SCHEMBL2953929 0.86 ALDH1A1 (0.35) TSHREPHX2ALDH1A1KDM4E
Cadaverine Tartrate SCHEMBL2963513 0.84 MEN1 (0.41) TSHRMEN1KMT2AEPHX2LMNA
Cadaverine Tartrate SCHEMBL2954308 0.84 MEN1 (0.41) TSHRMEN1KMT2AEPHX2LMNA
SCHEMBL2960158 0.82 TSHR (0.36) TSHRMEN1KMT2AALDH1A1TP53
SCHEMBL2960204 0.81 TSHR (0.39) TSHRMEN1KMT2ALMNATHRB
SCHEMBL2953313 0.81 TSHR (0.39) TSHRMEN1KMT2ALMNATHRB
SCHEMBL2959188 0.81 TSHR (0.50) TSHRMEN1KMT2ATHRBALDH1A1
SCHEMBL2962715 0.80 TSHR (0.37) TSHRMEN1KMT2AALDH1A1TP53
SCHEMBL2959251 0.79 TSHR (0.52) TSHRTHRBALDH1A1HTTHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392314-B1 OILY HAIR COSMETIC KOKYU ALCOHOL KOGYO CO LTD (JP) 2019-08-14 EP disclosed
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
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 (2 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 3886/4885MEN1 157/4885KMT2A 2163/4885
US-20100203003-A1 Oily Hair Cosmetics H1-0, H1-2, H1-3 TSHR 1973/4885MEN1 85/4885KMT2A 842/4885

“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.