SCHEMBL13500027

SCHEMBL13500027

CCC(O)COCCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ USP2 O75604 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NFE2L2 Q16236 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ LNPEP Q9UIQ6 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL13500021 0.91 CYP1A2 (0.48) CYP1A2USP2HTTHSD17B10SMN1; SMN2
SCHEMBL21358600 0.90 NFE2L2 (0.37) CYP1A2USP2SMN1; SMN2NFE2L2PRMT5
SCHEMBL13459004 0.85 USP2 (0.46) CYP1A2USP2SMN1; SMN2NFE2L2PRMT5
SCHEMBL28432329 0.83 HSD17B10 (0.47) CYP1A2HSD17B10SMN1; SMN2NFE2L2METAP2
SCHEMBL6937266 0.78 CYP1A2 (0.54) CYP1A2SMN1; SMN2NFE2L2
SCHEMBL7907019 0.78 HSD17B10 (0.45) CYP1A2USP2HTTHSD17B10METAP2
SCHEMBL13459028 0.76 USP2 (0.49) CYP1A2USP2SMN1; SMN2
SCHEMBL14398008 0.76 CYP1A2 (0.46) CYP1A2METAP2SHBG
SCHEMBL75092 0.76 CYP1A2 (0.50) CYP1A2SMN1; SMN2NFE2L2
SCHEMBL16404829 0.76 CYP1A2 (0.50) CYP1A2SMN1; SMN2NFE2L2

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-8829229-B2 Polyol ethers and process for making them DOW GLOBAL TECHNOLOGIES LLC (US) 2014-09-09 — — US disclosed
US-20100048940-A1 reductive etherification of a polyol with an aldehyde or ketone using a hydrogenation catalyt; resulting compounds have use as solvents, surfactants, degreasers, wetting agents, emulsifying agents, lubricants, and intermediates for surfactants; polyols can be from renewable raw materials DOW GLOBAL TECHNOLOGIES LLC 2010-02-25 — — 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-20100048940-A1 reductive etherification of a polyol with an aldehyde or ketone using a hydrogenation catalyt; resulting compounds have use as solvents, surfactants, degreasers, wetting agents, emulsifying agents, lubricants, and intermediates for surfactants; polyols can be from renewable raw materials RNF114, USP14, USP13 CYP1A2 551/4885USP2 70/4885HTT 147/4885

“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.

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