SCHEMBL10126634

SCHEMBL10126634

O=C(O)CCCOCCOCCN1C(=O)C2C3C=CC(O3)C2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 7/20 0.41
PKM P14618 2/20 0.39
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGLL Q99685 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL12286803 1.00 MAPK1 (0.43) MAPK1ALDH1A1PKMMAPTATM
SCHEMBL12287188 1.00 MAPK1 (0.43) MAPK1ALDH1A1PKMMAPTATM
SCHEMBL23451376 0.84 MAPK1 (0.50) MAPK1ALDH1A1PKMATMHTT
SCHEMBL21614012 0.84 MAPK1 (0.50) MAPK1ALDH1A1PKMATMHTT
SCHEMBL2756797 0.84 ALDH1A1 (0.45) ALDH1A1PKMMAPTATMTDP1
SCHEMBL13852647 0.83 ALDH1A1 (0.45) MAPK1ALDH1A1PKMMAPTATM
SCHEMBL14129235 0.82 ALDH1A1 (0.43) ALDH1A1PKMMAPTATMTDP1
SCHEMBL12286843 0.82 ALDH1A1 (0.43) ALDH1A1PKMMAPTATMTDP1
SCHEMBL10126651 0.82 ALDH1A1 (0.43) ALDH1A1PKMMAPTATMTDP1
SCHEMBL15043610 0.81 MAPK1 (0.61) MAPK1ALDH1A1PKMMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207353-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2012-06-26 US disclosed
US-7893277-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2011-02-22 US disclosed
US-20100280252-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES (US) 2010-11-04 US disclosed
US-20100160645-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2010-06-24 US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 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 (3 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-20100280252-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 MAPK1 3505/4885ALDH1A1 2008/4885PKM 3080/4885
US-20100160645-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 MAPK1 3505/4885ALDH1A1 2008/4885PKM 3080/4885
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups GNE, EPRS1, ALG1 MAPK1 3505/4885ALDH1A1 2008/4885PKM 3080/4885

“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.