SCHEMBL30684256

SCHEMBL30684256

COC(=O)C(C(=O)OC)c1ccc(Cl)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DCTPP1 Q9H773 1/20 0.35
LMNA P02545 1/20 0.35
RAF1 P04049 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
COMT P21964 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL26913072 1.00 ALDH1A1 (0.52) ALDH1A1TSHRPKMTDP1MAPT
SCHEMBL7688773 0.82 ALDH1A1 (0.60) ALDH1A1PKMTDP1MAPTMEN1
SCHEMBL26912552 0.81 TSHR (0.44) ALDH1A1TSHRTDP1MAPTMEN1
SCHEMBL1906515 0.77 ALDH1A1 (0.52) ALDH1A1PKMTDP1MAPTMEN1
SCHEMBL10801476 0.76 TSHR (0.48) ALDH1A1TSHRTDP1MAPTMEN1
SCHEMBL25297127 0.74 ALDH1A1 (0.47) ALDH1A1TSHRPKMMAPTMEN1
SCHEMBL30450457 0.74 ALDH1A1 (0.47) ALDH1A1TSHRPKMMAPTMEN1
SCHEMBL624054 0.73 ALDH1A1 (0.64) ALDH1A1TSHRPKMTDP1MAPT
SCHEMBL29907231 0.73 ALDH1A1 (0.60) ALDH1A1PKMTDP1MEN1KMT2A
SCHEMBL3655785 0.73 ALDH1A1 (0.60) ALDH1A1PKMTDP1MEN1KMT2A

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
WO-2023235809-A1 CGAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-12-07 WO disclosed
US-20230391786-A1 cGAS INHIBITORS ELI LILLY AND COMPANY 2023-12-07 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-20230391786-A1 cGAS INHIBITORS CGAS, STING1, TBK1 ALDH1A1 4135/4885TSHR 4560/4885PKM 1616/4885

“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.