SCHEMBL2955425

SCHEMBL2955425

CCCOCCCCOCCCCOC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
NAAA Q02083 1/20 0.36
HCAR2 Q8TDS4 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
NOD1 Q9Y239 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL2961156 0.89 TSHR (0.38) TSHRALDH1A1
SCHEMBL2960204 0.89 TSHR (0.39) HCAR2HTTTSHRALDH1A1HSD17B10
SCHEMBL2953313 0.89 TSHR (0.39) HCAR2HTTTSHRALDH1A1HSD17B10
SCHEMBL370999 0.87 NAAA (0.48) NAAAHCAR2TSHRCYP3A4ALDH1A1
SCHEMBL11621634 0.85 NAAA (0.52) NAAAHCAR2TSHRALDH1A1NOD1
SCHEMBL9766330 0.85 NAAA (0.52) NAAAHCAR2TSHRALDH1A1NOD1
SCHEMBL41759 0.85 NAAA (0.52) NAAAHCAR2TSHRALDH1A1NOD1
SCHEMBL5477588 0.85 NAAA (0.52) NAAAHCAR2TSHRALDH1A1NOD1
SCHEMBL10958920 0.85 NAAA (0.52) NAAAHCAR2TSHRALDH1A1NOD1
SCHEMBL17986646 0.85 NAAA (0.52) NAAAHCAR2TSHRALDH1A1NOD1

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 USP2 3520/4885NAAA 65/4885HCAR2 1014/4885
US-20100203003-A1 Oily Hair Cosmetics H1-0, H1-2, H1-3 USP2 2865/4885NAAA 403/4885HCAR2 346/4885

“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.