SCHEMBL7102961

SCHEMBL7102961

CCCCC(CC)COCC1CO1.CCCCCCCCCCCCOCC1CO1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.83
TDP1 Q9NUW8 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.58
TSHR P16473 2/20 0.51
CYP3A4 P08684 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.41
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
ATM Q13315 1/20 0.35
PLA2G2C Q5R387 1/20 0.35

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
SCHEMBL8455846 0.96 ALDH1A1 (0.80) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL6687414 0.94 ALDH1A1 (0.88) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL14065851 0.91 ALDH1A1 (0.88) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL17559526 0.91 ALDH1A1 (0.88) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL18863120 0.91 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL12977820 0.91 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL12977802 0.91 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL12977814 0.91 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL38306 0.91 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL12977818 0.91 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4

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
CN-103087576-A Surfactant Composition, Coating Solution Containing The Surfactant Composition, And Rubber Article Treated By The Coating Solution SHINETSU CHEMICAL CO 2013-05-08 CN disclosed
US-20030158448-A1 Glycidyl ether-capped acetylenic diol ethoxylate surfactants EVONIK DEGUSSA GMBH (DE) 2003-08-21 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-20030158448-A1 Glycidyl ether-capped acetylenic diol ethoxylate surfactants AGL, ALK, ALG1 ALDH1A1 1912/4885TDP1 4291/4885SMN1; SMN2 4566/4885

“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.