SCHEMBL4413036

SCHEMBL4413036

O=C(O)c1[c]ccnc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ASPH Q12797 2/20 0.38
KDM8 Q8N371 2/20 0.38
CYP1A2 P05177 1/20 0.36
MYC P01106 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAPRT Q6XQN6 2/20 0.30
LMNA P02545 1/20 0.30
P4HTM Q9NXG6 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL2519472 0.78 KDM4E (0.41) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL8924724 0.78 KDM4E (0.41) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL9098715 0.78 NAPRT (0.33) KDM4EL3MBTL1NAPRTLMNAP4HTM
SCHEMBL6198008 0.78 KDM4E (0.36) KDM4EL3MBTL1MYCNAPRTLMNA
SCHEMBL8924999 0.77 KDM4E (0.46) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL7085581 0.77 NAPRT (0.42) KDM4EMAPTALDH1A1L3MBTL1TDP1
SCHEMBL8923739 0.72 KDM4E (0.36) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL9158798 0.70 TSHR (0.35) ALDH1A1TSHRALOX15CYP1A2NAPRT
SCHEMBL69939 0.70 KDM4E (0.54) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL6345905 0.68 KDM4E (0.52) KDM4EMAPTALDH1A1L3MBTL1TSHR

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-8642790-B2 Process for preparing 5-hydroxymethylfurfural via 5-acyloxymethylfurfural as an intermediate EVONIK DEGUSSA GMBH (DE) 2014-02-04 US disclosed
EP-2010188-A2 CHROMIUM COMPLEXES Mandrillus Pharma, LLC (US) 2009-01-07 EP disclosed
US-20080200698-A1 PROCESS FOR PREPARING 5-HYDROXYMETHYLFURFURAL VIA 5-ACYLOXYMETHYLFURFURAL AS AN INTERMEDIATE EVONIK DEGUSSA GMBH (DE) 2008-08-21 US disclosed
WO-2007127867-A2 CHROMIUM COMPLEXES MANDRILLUS PHARMA, LLC (US) 2007-11-08 WO disclosed
US-20070254864-A1 CHROMIUM COMPLEXES MANDRILLUS PHARMA, LLC (US) 2007-11-01 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 (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-20080200698-A1 PROCESS FOR PREPARING 5-HYDROXYMETHYLFURFURAL VIA 5-ACYLOXYMETHYLFURFURAL AS AN INTERMEDIATE CYP3A5, CYP4F2, ACSL5 KDM4E 372/4885MAPT 4054/4885ALDH1A1 284/4885
US-20070254864-A1 CHROMIUM COMPLEXES PC, CS, PCCA KDM4E 1944/4885MAPT 4505/4885ALDH1A1 1673/4885

“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.