SCHEMBL2234610

SCHEMBL2234610

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.68
CTNNB1 P35222 1/20 0.68
HTR2A P28223 1/20 0.50
MGLL Q99685 2/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 4/20 0.41
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
COMT P21964 1/20 0.41
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
SCHEMBL2235137 0.90 BCL9 (0.56) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL6447049 0.89 BCL9 (0.53) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL2235945 0.88 BCL9 (0.65) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL2232640 0.86 BCL9 (0.51) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL2235180 0.84 BCL9 (0.48) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL15459741 0.84 HTR2A (0.53) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL2236108 0.83 BCL9 (0.46) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL2233288 0.83 BCL9 (0.46) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL12348669 0.83 BCL9 (0.46) BCL9CTNNB1HTR2AMGLLGAA
SCHEMBL2233659 0.82 HTR2A (0.52) BCL9CTNNB1HTR2AMGLLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12448400-B2 KRAS G12D modulating compounds GILEAD SCIENCES, INC. (US) 2025-10-21 US disclosed
US-20250136621-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2025-05-01 US disclosed
US-20250109147-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2025-04-03 US disclosed
WO-2025054530-A1 PYRIMIDINE-CONTAINING POLYCYCLIC DERIVATIVES AS KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-03-13 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 (4 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 4803/4885HTR2A 4341/4885
US-12448400-B2 KRAS G12D modulating compounds KRAS, NRAS, HRAS BCL9 147/4885CTNNB1 618/4885HTR2A 4733/4885
US-20250136621-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS BCL9 147/4885CTNNB1 618/4885HTR2A 4733/4885
US-20250109147-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS BCL9 147/4885CTNNB1 618/4885HTR2A 4733/4885

“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.