SCHEMBL22917038

SCHEMBL22917038

CCc1ccc(Cn2c(C(=O)OCCO)cc3c2CCCC3=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SRC P12931 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MAPT P10636 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL21423951 0.92 ALDH1A1 (0.47) BRD4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL25514686 0.89 BRD4 (0.43) BRD4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL21413199 0.89 BRD4 (0.45) BRD4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL22916955 0.88 BRD4 (0.49) BRD4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL29520923 0.87 BRD4 (0.41) BRD4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL21423950 0.81 ALDH1A1 (0.45) BRD4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23174922 0.79 BRD4 (0.44) BRD4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL25514682 0.79 BRD4 (0.41) BRD4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL21423952 0.78 L3MBTL1 (0.57) BRD4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23174927 0.78 BRD4 (0.49) BRD4TP53HDAC1HDAC6MAPT

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
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2021-01-28 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 (2 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-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 BRD4 2025/4885KDM4E 4107/4885SMN1; SMN2 376/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 BRD4 2025/4885KDM4E 4107/4885SMN1; SMN2 376/4885

“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.