SCHEMBL2512905

SCHEMBL2512905

COC(=O)c1cc(C(=O)OC)cc(-c2ccc(-c3nnn[nH]3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
RHEB Q15382 1/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
GRK6 P43250 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38

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
SCHEMBL3658350 0.89 MAPT (0.45) KDM4EALDH1A1RHEBRAB9ALMNA
SCHEMBL2834492 0.88 KDM4E (0.56) KDM4EALDH1A1RHEBRAB9ALMNA
SCHEMBL733150 0.88 GABRG2 (0.44) KDM4EALDH1A1SMN1; SMN2CA12CA1
SCHEMBL1505455 0.83 GABRG2 (0.50) ALDH1A1RAB9ANPC1HPGDCA12
SCHEMBL2516837 0.82 DHODH (0.46) KDM4EALDH1A1EGFR
SCHEMBL731048 0.78 BRD4 (0.43) KDM4EALDH1A1RAB9ALMNANPC1
SCHEMBL3655959 0.77 ADORA3 (0.42) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL7824396 0.77 ALDH1A1 (0.39) KDM4EALDH1A1LMNANFKB1NFKB2
SCHEMBL3659131 0.76 HPGDS (0.39) KDM4EALDH1A1RAB9APOLBMAPT
SCHEMBL16749655 0.76 CA1 (0.58) KDM4EALDH1A1LMNANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034952-B2 Supramolecular assemblies and building blocks UNIVERSITY OF SOUTH FLORIDA (US) 2011-10-11 US disclosed
US-20090143596-A1 Supramolecular Assemblies and Building Blocks UNIVERSITY OF SOUTH FLORIDA (US) 2009-06-04 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-20090143596-A1 Supramolecular Assemblies and Building Blocks TERB1, TBCB, PARG KDM4E 3595/4885ALDH1A1 4780/4885RHEB 156/4885

“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.