SCHEMBL29310328

SCHEMBL29310328

COC(=O)CCCOP(=O)(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
GLA P06280 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL23671639 0.95 TSHR (0.45) TSHRLMNAALDH1A1CYP3A4RECQL
SCHEMBL10309819 0.85 TSHR (0.41) TSHRCYP3A4CA12CA14
SCHEMBL6282144 0.82 ALDH1A1 (0.42) TSHRLMNAALDH1A1CYP3A4KMT2A
SCHEMBL29310324 0.82 DGKA (0.33) ALDH1A1CYP3A4
SCHEMBL30886725 0.79 CA1 (0.35) CYP3A4
SCHEMBL31480805 0.78 DGKA (0.35) CYP3A4
SCHEMBL23671685 0.77 ALDH1A1 (0.50) TSHRLMNAALDH1A1CYP3A4KMT2A
SCHEMBL1652577 0.77 TSHR (0.52) TSHRLMNAALDH1A1CYP3A4RECQL
SCHEMBL5165664 0.76 CYP3A4 (0.41) TSHRALDH1A1CYP3A4
SCHEMBL25243091 0.75 TSHR (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228503-A1 TRIAZOLE-SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AS CGAS INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-07-11 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-20240228503-A1 TRIAZOLE-SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AS CGAS INHIBITORS SSB, CGAS, STING1 TSHR 3614/4885LMNA 1119/4885ALDH1A1 3032/4885

“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.