SCHEMBL6826823

SCHEMBL6826823

CCOC(=O)CCC(OC1=CCCC1)OC1=CCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
GSTP1 P09211 1/20 0.33
NOTUM Q6P988 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
KAT2B Q92831 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6827051 0.80 MAPT (0.33) KMT2AALDH1A1TDP1GSTP1KDM4E
SCHEMBL6827585 0.77 GSTP1 (0.34) L3MBTL1KMT2AALDH1A1ALOX15GSTP1
SCHEMBL31462359 0.77 GSTP1 (0.35) ALDH1A1ALOX15GSTP1SMN1; SMN2
SCHEMBL6826929 0.76
SCHEMBL145239 0.75
SCHEMBL16679741 0.75 ALDH1A1 (0.33) KMT2AALDH1A1ALOX15KDM4EHPGD
SCHEMBL6826961 0.73 GSTP1 (0.33) TDP1GSTP1
SCHEMBL6887535 0.73 MGAM (0.48) KMT2AALDH1A1ALOX15GSTP1GAA
SCHEMBL9413152 0.72
SCHEMBL7613110 0.72 POLB (0.36) POLBALDH1A1TDP1GSTP1

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
US-6740358-B2 Reactive coalescents ROHM AND HAAS COMPANY 2004-05-25 US disclosed
US-20020197407-A1 Reactive coalescents SPEECE DAVID GERALD (US) 2002-12-26 US disclosed
US-6451380-B1 IMPROVED STABILITY WITH INHIBITOR SELECTED FROM 4-METHOXYPHENOL, 4-HYDROXY-2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY, 4-OXO-2,2,6,6-TETRAMETHYL- 1-PIPERIDINYLOXY, AND DI-TERTIARY BUTYL NITROXYL; EMULSION POLYMER; COATINGS ROHM AND HAAS COMPANY 2002-09-17 US disclosed
EP-1106593-A2 A composition comprising a vinyl reactive coalescent ROHM AND HAAS COMPANY (US) 2001-06-13 EP disclosed
EP-0870749-A2 Reactive coalescents ROHM AND HAAS COMPANY (US) 1998-10-14 EP 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-20020197407-A1 Reactive coalescents XRCC6, RAD51, CLTA L3MBTL1 4455/4885KMT2A 4776/4885POLB 1046/4885

“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.