SCHEMBL2236491

SCHEMBL2236491

CC(C)C(=O)OC(OC(=O)Oc1ccc([N+](=O)[O-])cc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
GAA P10253 2/20 0.48
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
MGLL Q99685 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2233848 0.88 HTR2A (0.50) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL2235530 0.86 HTR2A (0.54) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL2236482 0.84 BCL9 (0.53) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL12342249 0.84 HTR2A (0.46) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL2235945 0.82 BCL9 (0.65) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL2235730 0.82 SMN1; SMN2 (0.47) HTR2AGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL23922815 0.81 HTR2A (0.54) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL15967677 0.81 ELANE (0.44) GAASMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL21098059 0.81 HTR2A (0.54) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL21097121 0.81 HTR2A (0.54) HTR2AGAABCL9CTNNB1MGLL

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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 HTR2A 4341/4885GAA 1535/4885BCL9 2611/4885

“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.