SCHEMBL6827585

SCHEMBL6827585

CCOC(=O)C(OC1=CCCC1)OC1=CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.34
NLRP3 Q96P20 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
CYP2D6 P10635 1/20 0.33
PIN1 Q13526 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
JAK2 O60674 1/20 0.31

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
SCHEMBL6826823 0.77 L3MBTL1 (0.37) GSTP1KMT2ACYP2D6ALDH1A1KDM4E
SCHEMBL16679741 0.75 ALDH1A1 (0.33) MEN1NPC1KMT2ARAB9AALDH1A1
SCHEMBL7645420 0.72 MMP8 (0.38) GSTP1MEN1NPC1KMT2ARAB9A
SCHEMBL6826961 0.72 GSTP1 (0.33) GSTP1
SCHEMBL6887535 0.72 MGAM (0.48) GSTP1NLRP3MEN1KMT2AALDH1A1
SCHEMBL2675215 0.71 HDAC4 (0.34)
SCHEMBL23466930 0.71 TSHR (0.35) GSTP1MEN1NPC1KMT2ARAB9A
SCHEMBL28001438 0.71 ALDH1A1 (0.33) GSTP1RAB9AALDH1A1MAPTTSHR
SCHEMBL17313429 0.71 ALDH1A1 (0.36) GSTP1MEN1KMT2ARAB9AALDH1A1
SCHEMBL6827051 0.71 MAPT (0.33) GSTP1NLRP3MEN1KMT2AALDH1A1

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 GSTP1 1472/4885NLRP3 2977/4885MEN1 1645/4885

“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.