SCHEMBL21153236

SCHEMBL21153236

CC(C)C(=O)c1cccc(C2OCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 2/20 0.41
DBH P09172 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMO O15229 1/20 0.36
CHRNB2 P17787 5/20 0.35
SLC6A2 P23975 5/20 0.35
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
CHRNA4 P43681 5/20 0.35
SLC6A3 Q01959 5/20 0.35
CHRNA1 P02708 4/20 0.35
CHRNG P07510 4/20 0.35
CHRNB1 P11230 4/20 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
SCHEMBL4246223 0.82 PARP1 (0.46) PARP1KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL5423204 0.82 PARP1 (0.49) PARP1GAAALDH1A1NPSR1TDP1
SCHEMBL2282510 0.80 KMO (0.56) PARP1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL13962635 0.79 PARP1 (0.46) PARP1ALDH1A1SMN1; SMN2L3MBTL1KMO
SCHEMBL13901589 0.79 PARP1 (0.46) PARP1ALDH1A1L3MBTL1KMONPC1
SCHEMBL6697278 0.79 PARP1 (0.68) PARP1RECQLTDP1L3MBTL1CYP2C19
SCHEMBL1417028 0.78 RAB9A (0.49) PARP1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL9430916 0.78 ATM (0.46) PARP1GAAALDH1A1SMN1; SMN2NPSR1
SCHEMBL2539492 0.78 ATM (0.55) PARP1KDM4EGAARECQLALDH1A1
SCHEMBL13414993 0.76 SMN1; SMN2 (0.45) PARP1ALDH1A1SMN1; SMN2TDP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation ACELOT,INC (US) 2021-02-25 US disclosed
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation ACELOT, INC. (US) 2020-07-07 US disclosed
US-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation ACELOT, INC. 2019-07-11 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 (3 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-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation APP, PSEN2, PSEN1 PARP1 3560/4885KDM4E 4863/4885DBH 730/4885
US-10703711-B2 Small molecule drugs and related methods for treatment of diseases related to Aβ42 oligomer formation APP, PSEN2, PSEN1 PARP1 2095/4885KDM4E 4816/4885DBH 1259/4885
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation HTT, TARDBP, SNCA PARP1 2991/4885KDM4E 4369/4885DBH 275/4885

“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.