SCHEMBL14714240

SCHEMBL14714240

CC(=O)OCc1ccc(-c2ccc(COC(C)=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 3/20 0.42
CYP1A2 P05177 1/20 0.42
MAOB P27338 1/20 0.42
ABCB1 P08183 2/20 0.41
PDK1 Q15118 1/20 0.41
ALDH1A1 P00352 6/20 0.41
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.38
SNCA P37840 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCC1 P33527 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14713572 0.96 PDK1 (0.48) KMT2AMAPTMEN1TDP1POLB
SCHEMBL27736701 0.86 CYP1A2 (0.59) KMT2AMAPTMEN1TDP1CYP1A2
SCHEMBL19193928 0.86 TSHR (0.50) KMT2AMAPTMEN1CYP1A2MAOB
SCHEMBL7109468 0.85 ALDH1A1 (0.54) KMT2AMAPTMEN1POLBMAOB
SCHEMBL27732126 0.85 KDM4E (0.40) KMT2AMAPTMEN1TDP1POLB
SCHEMBL27627585 0.85 PKM (0.46) KMT2AMAPTMEN1POLBCYP1A2
SCHEMBL6950169 0.84 CASP6 (0.55) PDK1LMNA
SCHEMBL5218396 0.84 MAPT (0.50) KMT2AMAPTMEN1MAOBALDH1A1
SCHEMBL3883212 0.81 HPD (0.49) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL8114634 0.81 VCAM1 (0.49) KMT2AMAPTMEN1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962670-B2 Anti-cancer agents UWM RESEARCH FOUNDATION, INC. (US) 2015-02-24 US disclosed
US-8637490-B2 Anti-cancer agents UWM RESEARCH FOUNDATION, INC. (US) 2014-01-28 US disclosed
US-20130045949-A1 ANTI-CANCER AGENTS UWM RESEARCH FOUNDATION, INC. (US) 2013-02-21 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-20130045949-A1 ANTI-CANCER AGENTS TP53, MCL1, HRAS KMT2A 3226/4885MAPT 4804/4885MEN1 3549/4885

“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.