SCHEMBL68951

SCHEMBL68951

Oc1ccccc1SCCSc1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 2/20 0.45
HIF1A Q16665 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
CA12 O43570 1/20 0.45
GMNN O75496 1/20 0.45
EGFR P00533 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
FYN P06241 1/20 0.45
POLB P06746 1/20 0.45
CA3 P07451 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
MMP9 P14780 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
CA4 P22748 1/20 0.45

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
SCHEMBL31359159 0.88 EPHX2 (0.52) HSPA5ALDH1A1ALOX15HIF1AKDM4E
SCHEMBL9524761 0.88 S100A4 (0.44) HSPA5ALDH1A1ALOX15HIF1AKDM4E
SCHEMBL10504004 0.86 PTGS2 (0.51) ALDH1A1ALOX15HIF1AKDM4ENPC1
SCHEMBL7220999 0.84 EPHX2 (0.43) ALDH1A1ALOX15HIF1AKDM4ENPC1
SCHEMBL8397211 0.84 LMNA (0.45) HSPA5ALDH1A1ALOX15HIF1AKDM4E
SCHEMBL6527867 0.83 EPHX2 (0.43) HSPA5ALDH1A1ALOX15HIF1AKDM4E
SCHEMBL9840115 0.83 PTGS2 (0.44) ALDH1A1ALOX15HIF1AKDM4ENPC1
SCHEMBL9323113 0.83 EPHX2 (0.56) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL9010683 0.83 EPHX2 (0.46) ALDH1A1ALOX15HIF1AKDM4ENPC1
SCHEMBL23409813 0.81 ALDH1A1 (0.51) ALDH1A1ALOX15KDM4ELMNAPOLB

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
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 HSPA5 133/4885ALDH1A1 1882/4885ALOX15 1966/4885

“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.