SCHEMBL26802641

SCHEMBL26802641

CCCCC(CC)COCC(COc1ccccc1)OCCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CA2 P00918 1/20 0.40
▸ LTA4H P09960 2/20 0.39
▸ PLA2G2A P14555 6/20 0.38
▸ PLA2G10 O15496 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PLA2G1B P04054 2/20 0.37
▸ PLA2G5 P39877 2/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL27411577 0.88 CYP3A4 (0.39) ALDH1A1CYP3A4CA2LTA4HPLA2G2A
SCHEMBL27411557 0.86 LMNA (0.46) ALDH1A1CYP3A4CA2LTA4HPLA2G2A
SCHEMBL24090581 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2LTA4HLMNA
SCHEMBL12172005 0.81 LMNA (0.43) LTA4HPLA2G2APLA2G10LMNAPLA2G1B
SCHEMBL27254126 0.81 LMNA (0.48) ALDH1A1LMNA
SCHEMBL4913490 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LTA4HLMNA
SCHEMBL27411607 0.79 ALDH1A1 (0.37) ALDH1A1CYP3A4CA2LTA4HPLA2G2A
SCHEMBL22710209 0.79 LTA4H (0.51) ALDH1A1CYP3A4CA2LTA4HLMNA
SCHEMBL30308949 0.79 CYP3A4 (0.55) ALDH1A1CYP3A4CA2LTA4HLMNA
SCHEMBL21989183 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807830-B2 Surfactant compositions and use thereof ECOLAB USA INC. (US) 2023-11-07 — — 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-11807830-B2 Surfactant compositions and use thereof DEGS1, DSG1, SGMS2 ALDH1A1 4826/4885CYP3A4 4198/4885CA2 4352/4885

“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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