SCHEMBL2961672

SCHEMBL2961672

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
PGD P52209 1/20 0.34
TSHR P16473 3/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2958836 0.90 SMN1; SMN2 (0.36) SMN1; SMN2PGDSLC22A6TDP1
SCHEMBL2961763 0.88 SMN1; SMN2 (0.35) SMN1; SMN2PGD
SCHEMBL2959965 0.87 TDP1 (0.41) SMN1; SMN2PGDTDP1
SCHEMBL1561853 0.87 SMN1; SMN2 (0.46) SMN1; SMN2PGDTSHRSLC22A6CACNA2D1
SCHEMBL3010216 0.82 SMN1; SMN2 (0.33) SMN1; SMN2PGDTDP1
Ethylene Glycol SCHEMBL3030634 0.81 SMN1; SMN2 (0.41) SMN1; SMN2PGDTSHRSLC22A6CACNA2D1
SCHEMBL3017335 0.79 SMN1; SMN2 (0.36) SMN1; SMN2PGDSLC22A6
SCHEMBL669418 0.79 SMN1; SMN2 (0.46) SMN1; SMN2PGDTSHRSLC22A6CACNA2D1
SCHEMBL2966942 0.78 CACNA2D1 (0.39) SMN1; SMN2PGDTSHRSLC22A6CACNA2D1
SCHEMBL31020866 0.77 TSHR (0.47) SMN1; SMN2PGDTSHRALDH1A1

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 SMN1; SMN2 3802/4885PGD 2259/4885TSHR 3886/4885
US-20100203003-A1 Oily Hair Cosmetics H1-0, H1-2, H1-3 SMN1; SMN2 3778/4885PGD 3279/4885TSHR 1973/4885

“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.