SCHEMBL2236482

SCHEMBL2236482

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTR2A P28223 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GAA P10253 2/20 0.46
MGLL Q99685 2/20 0.45
PTGS2 P35354 1/20 0.41
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2235945 0.90 BCL9 (0.65) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL2235137 0.87 BCL9 (0.56) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL2233848 0.85 HTR2A (0.50) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL2236491 0.84 HTR2A (0.52) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL12342249 0.82 HTR2A (0.46) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL2235730 0.80 SMN1; SMN2 (0.47) KMT2AMAPTSMN1; SMN2HTR2ARAB9A
SCHEMBL2232985 0.80 ALDH1A1 (0.46) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL21097658 0.80 BCL9 (0.56) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL21097204 0.80 BCL9 (0.56) BCL9CTNNB1KMT2AMAPTSMN1; SMN2
SCHEMBL12375535 0.80 BCL9 (0.56) BCL9CTNNB1KMT2AMAPTSMN1; SMN2

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
WO-2015137680-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING STROKE AND SYSTEMIC EMBOLISM 동아에스티 주식회사 2015-09-17 WO disclosed
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 BCL9 2611/4885CTNNB1 4803/4885KMT2A 3664/4885

“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.