SCHEMBL2963222

SCHEMBL2963222

CC(C)OC(C)C.O=C(O)C(O)C(O)C(=O)OCCO

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31
TP53 P04637 1/20 0.31
GBA1 P04062 1/20 0.30
ACHE P22303 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
Ethylene SCHEMBL2962958 0.96 TSHR (0.34) TSHRHTTALDH1A1
Propene SCHEMBL2963067 0.92 TSHR (0.38) TSHRHTT
SCHEMBL3026070 0.91 TSHR (0.30) TSHRHTT
SCHEMBL373841 0.88 TSHR (0.48) TSHRHTTALDH1A1CYP2C9PDE4A
Cadaverine Tartrate SCHEMBL2962963 0.85 TSHR (0.40) TSHRHTTALDH1A1CYP2C9PDE4A
Glycolic Acid SCHEMBL11314038 0.82 TSHR (0.42) TSHRHTTCYP2C9PDE4AGBA1
Propene SCHEMBL10796385 0.81 TSHR (0.44) TSHRHTTCYP2C9PDE4AGBA1
Ether SCHEMBL2959250 0.81 ALDH1A1 (0.41) TSHRHTTALDH1A1CYP2C9PDE4A
SCHEMBL373842 0.79 TSHR (0.44) TSHRHTTALDH1A1ACHE
Ether SCHEMBL2959187 0.79 ALDH1A1 (0.39) TSHRALDH1A1ACHE

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-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 (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-20090100609-A1 ACIDIC HAIR DYE COMPOSITION H1-0, MRM1, H1-4 TSHR 3886/4885HTT 3268/4885ALDH1A1 81/4885

“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.