SCHEMBL17467862

SCHEMBL17467862

O=C(O)CCC(=O)OCCn1c(=O)n(CCOC(=O)CCC(=O)O)c(=O)n(CCOC(=O)CCC(=O)O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
EGLN1 Q9GZT9 2/20 0.35
MAPT P10636 2/20 0.35
BLM P54132 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
NPC1 O15118 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL20988621 0.93 APEX1 (0.40) APEX1GAAKDM4ELMNAALDH1A1
SCHEMBL19982837 0.93 APEX1 (0.40) APEX1GAAKDM4ELMNAALDH1A1
SCHEMBL17467863 0.93 APEX1 (0.40) APEX1GAAKDM4ELMNAALDH1A1
SCHEMBL17467860 0.89 TSHR (0.42) APEX1GAAKDM4EMAPTNPC1
SCHEMBL20988620 0.87 APEX1 (0.36) APEX1GAAKDM4ELMNAALDH1A1
SCHEMBL20988619 0.83 APEX1 (0.38) APEX1LMNAALDH1A1TDP1MAPT
SCHEMBL29227235 0.83 APEX1 (0.38) APEX1GAAKDM4ELMNAALDH1A1
SCHEMBL17049401 0.81 GAA (0.53) GAAKDM4EALDH1A1TDP1MAPT
SCHEMBL301234 0.81 FNTA (0.44) APEX1GAAKDM4EALDH1A1ADRA2A
SCHEMBL15198872 0.80 ALDH1A1 (0.49) GAAKDM4EALDH1A1ADRA2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793731-B2 Multi-part dental composition having staged viscosity prior to hardening 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-10-24 US disclosed
US-11793731-B2 Multi-part dental composition having staged viscosity prior to hardening 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-10-24 US disclosed
US-11024440-B2 Conductive thermoplastic elastomer composition ENEOS CORPORATION (JP) 2021-06-01 US disclosed
US-10995207-B2 Thermoplastic elastomer composition and method for producing the same ENEOS CORPORATION (JP) 2021-05-04 US disclosed
US-20200383877-A1 MULTI-PART DENTAL COMPOSITION HAVING STAGED VISCOSITY PRIOR TO HARDENING SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2020-12-10 US disclosed
US-10793697-B2 Thermoplastic elastomer composition and method for producing the same ENEOS CORPORATION (JP) 2020-10-06 US disclosed
US-20190085146-A1 COMPOSITION FOR FOAM, FOAM, METHOD FOR PRODUCING THEM, AND FOAM MOLDED ARTICLE JXTG NIPPON OIL & ENERGY CORPORATION (JP) 2019-03-21 US disclosed
US-20190048178-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR PRODUCING THE SAME JXTG NIPPON OIL & ENERGY CORPORATION (JP) 2019-02-14 US disclosed
US-20180079887-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR PRODUCING THE SAME JXTG NIPPON OIL & ENERGY CORPORATION (JP) 2018-03-22 US disclosed
WO-2016013257-A1 POLYCARBOXYLIC ACID, POLYCARBOXYLIC ACID COMPOSITION, EPOXY RESIN COMPOSITION AND HEAT-CURABLE RESIN COMPOSITION EACH CONTAINING SAID POLYCARBOXYLIC ACID, CURED PRODUCTS OF SAID COMPOSITIONS, AND OPTICAL SEMICONDUCTOR DEVICE 日本化薬株式会社 2016-01-28 WO disclosed
WO-2016013642-A1 POLYCARBOXYLIC ACID AND POLYCARBOXYLIC ACID COMPOSITION CONTAINING SAME, EPOXY RESIN COMPOSITION, THERMOSETTING RESIN COMPOSITION, AND CURED MATERIAL OF SAME, AND OPTICAL SEMICONDUCTOR DEVICE 日本化薬株式会社 2016-01-28 WO 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 (2 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-20200383877-A1 MULTI-PART DENTAL COMPOSITION HAVING STAGED VISCOSITY PRIOR TO HARDENING POLR1A, POLR2A, POLR2H APEX1 126/4885GAA 3557/4885KDM4E 3203/4885
US-11793731-B2 Multi-part dental composition having staged viscosity prior to hardening POLR1A, POLR2A, POLR2H APEX1 126/4885GAA 3557/4885KDM4E 3203/4885

“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.