SCHEMBL25960109

SCHEMBL25960109

CCOC(=O)NCC=CCOCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC11 Q96DB2 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
SCHEMBL25939835 0.83 TDP1 (0.39) KMT2AMEN1GAA
SCHEMBL23613236 0.83 TDP1 (0.39) KMT2AMEN1GAA
SCHEMBL11601388 0.78 GLA (0.41) KMT2ATSHRSMN1; SMN2GLAL3MBTL1
SCHEMBL12393905 0.73 CNR1 (0.38) KMT2ATSHRHRH4HRH3
SCHEMBL25939837 0.72 ALOX15 (0.30) TSHR
SCHEMBL23613239 0.72 ALOX15 (0.30) TSHR
SCHEMBL2338040 0.72 GAA (0.39) KMT2ATSHRSMN1; SMN2GLAL3MBTL1
SCHEMBL28815661 0.72 GAA (0.39) KMT2ATSHRSMN1; SMN2GLAL3MBTL1
SCHEMBL12393899 0.71 NR1I2 (0.45) KMT2ATSHRSMN1; SMN2GLAHRH4
SCHEMBL12003317 0.71 GLA (0.39) KMT2ATSHRSMN1; SMN2GLAL3MBTL1

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-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 — — 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH KMT2A 4577/4885TSHR 2042/4885SMN1; SMN2 2037/4885

“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.

Send feedback