SCHEMBL30684394

SCHEMBL30684394

CC(C)(C)OC(=O)Nc1cc(Cl)c(Cl)c2[nH]c(COC3CCCCO3)cc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.34
EP300 Q09472 1/20 0.34
KMT2A Q03164 2/20 0.32
GRIN1 Q05586 1/20 0.32
CCR2 P41597 1/20 0.31
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30

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
SCHEMBL26912549 0.91 KDM4C (0.35) CREBBPEP300KMT2AGRIN1MEN1
SCHEMBL30684236 0.91 KDM4C (0.35) CREBBPEP300KMT2AGRIN1MEN1
SCHEMBL26913307 0.89 CREBBP (0.36) CREBBPEP300KMT2AGRIN1MEN1
SCHEMBL30684185 0.81 CREBBP (0.34) CREBBPEP300KMT2AGRIN1CCR2
SCHEMBL26913061 0.80 KMT2A (0.37) CREBBPEP300KMT2AGRIN1MEN1
SCHEMBL26912577 0.79 KDM4C (0.33) CREBBPEP300KMT2AGRIN1MEN1
SCHEMBL26912459 0.78 KDM4C (0.34) KMT2AGRIN1MEN1
SCHEMBL26913314 0.77 SMN1; SMN2 (0.36) KMT2APARP1MEN1
SCHEMBL26912575 0.77 KDM4C (0.33) CREBBPKMT2AMEN1
SCHEMBL26912274 0.76 P2RX7 (0.33) KMT2AMEN1

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 CREBBP 168/4885EP300 1677/4885KMT2A 4427/4885

“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.