SCHEMBL23575853

SCHEMBL23575853

COc1cc(Br)cc(OC)c1CNCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
KDM4E B2RXH2 2/20 0.39
STING1 Q86WV6 1/20 0.37
ERN1 O75460 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
VSIR Q9H7M9 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23575474 0.78 AAK1 (0.39) MTNR1AMTNR1BSTING1VSIRPDCD1
SCHEMBL21227733 0.74 MTNR1A (0.43) MTNR1AMTNR1BKDM4ESTING1ALDH1A1
SCHEMBL14238298 0.74 PYCR1 (0.44) ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL6432866 0.73 ITGA4 (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19869709 0.73 S1PR5 (0.35) MTNR1AMTNR1BKDM4EALDH1A1PDCD1
SCHEMBL5201034 0.72 VSIR (0.38) MTNR1AMTNR1BALDH1A1VSIRL3MBTL1
SCHEMBL24064567 0.72 MTNR1A (0.40) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL24838193 0.72 AAK1 (0.42) MTNR1AMTNR1BKDM4E
SCHEMBL8086079 0.72 LATS1 (0.35) MTNR1AMTNR1BKDM4EALDH1A1VSIR
SCHEMBL23575677 0.70 MTNR1A (0.39) MTNR1AMTNR1BSTING1ERN1ALDH1A1

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
EP-3846800-A1 COMPOUNDS FOR THE DEGRADATION OF BRD9 OR MTH1 C4 Therapeutics, Inc. (US) 2021-07-14 EP disclosed
US-20210198256-A1 COMPOUNDS FOR THE DEGRADATION OF BRD9 OR MTH1 C4 THERAPEUTICS, INC. (US) 2021-07-01 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-20210198256-A1 COMPOUNDS FOR THE DEGRADATION OF BRD9 OR MTH1 RBBP9, MTHFD1, BRWD1 MTNR1A 1827/4885MTNR1B 1804/4885KDM4E 3235/4885

“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.