SCHEMBL2961730

SCHEMBL2961730

CC(C)COCCCCOCCCCOC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
SPHK1 Q9NYA1 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
LPAR5 Q9H1C0 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
SCHEMBL2960158 0.90 TSHR (0.36) TSHRL3MBTL1HTTALDH1A1
SCHEMBL2962715 0.88 TSHR (0.37) TSHRL3MBTL1HTTALDH1A1
Cadaverine Tartrate SCHEMBL2960244 0.85 GAA (0.38) TSHRSPHK1SPHK2USP2CYP1A2
SCHEMBL2953929 0.83 ALDH1A1 (0.35) TSHRL3MBTL1ALDH1A1
SCHEMBL2961156 0.83 TSHR (0.38) TSHRALDH1A1
SCHEMBL2955425 0.83 USP2 (0.37) TSHRUSP2CYP1A2CYP3A4CYP2C19
SCHEMBL28411335 0.82 TSHR (0.50) TSHRCYP3A4HTTALDH1A1
SCHEMBL11330559 0.80 TSHR (0.48) TSHRCYP3A4HTTALDH1A1LMNA
SCHEMBL5483944 0.79 BLM (0.39) TSHR
SCHEMBL31396834 0.79 BLM (0.39) TSHR

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 3886/4885SPHK1 3599/4885L3MBTL1 1276/4885
US-20100203003-A1 Oily Hair Cosmetics H1-0, H1-2, H1-3 TSHR 1973/4885SPHK1 1889/4885L3MBTL1 190/4885

“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.