SCHEMBL19639251

SCHEMBL19639251

CC(C)(C)OC(=O)N=C(NCc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
LMNA P02545 1/20 0.46
BCL2 P10415 1/20 0.46
BCHE P06276 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTPN1 P18031 1/20 0.44
GID4 Q8IVV7 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB8 P28062 1/20 0.43
PSMB9 P28065 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB10 P40306 1/20 0.43
PSMB2 P49721 1/20 0.43

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
SCHEMBL26633554 0.92 HDAC1 (0.46) HDAC1MEN1KMT2ASMN1; SMN2ADAMTS5
SCHEMBL19639305 0.90 GAA (0.53) HDAC1SMN1; SMN2LMNABCL2NPC1
SCHEMBL17902822 0.90 CA1 (0.51) HDAC1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL19651943 0.90 CA1 (0.51) HDAC1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL26633557 0.89 FFAR1 (0.45) HDAC1MEN1KMT2ASMN1; SMN2BCL2
SCHEMBL19639378 0.89 GID4 (0.54) HDAC1SMN1; SMN2NPC1RAB9AGID4
SCHEMBL19639292 0.85 TSHR (0.44) HDAC1SMN1; SMN2ADAMTS5GID4
SCHEMBL596575 0.85 HDAC1 (0.67) HDAC1MEN1KMT2ASMN1; SMN2ADAMTS5
SCHEMBL27446333 0.84 CA1 (0.43) HDAC1MEN1KMT2ANPC1RAB9A
SCHEMBL8381277 0.84 CA1 (0.47) HDAC1

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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB HDAC1 1517/4885MEN1 3309/4885KMT2A 4411/4885

“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.