SCHEMBL22761987

SCHEMBL22761987

CC(C)C(=O)[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
MMP7 P09237 1/20 0.47
MMP13 P45452 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
EZH2 Q15910 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MMP12 P39900 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL22761931 0.95 MMP2 (0.47) MMP2MMP9MMP7MMP13SMN1; SMN2
SCHEMBL8013143 0.87 CCR1 (0.54) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL22761975 0.84 PGR (0.47) MMP2MMP9MMP7MMP13SMN1; SMN2
SCHEMBL22761976 0.84 ALDH1A1 (0.47) MMP2MMP9MMP7MMP13SMN1; SMN2
SCHEMBL23816714 0.81 ALDH1A1 (0.47) MMP2MMP9MMP7MMP13SMN1; SMN2
SCHEMBL8738919 0.80 ALDH1A1 (0.64) MMP2MMP9SMN1; SMN2HPGDALDH1A1
SCHEMBL22761930 0.79 PGR (0.49) MMP2MMP9MMP7MMP13NPC1
SCHEMBL22761977 0.77 NPC1 (0.49) MMP13SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8221606 0.76 CCR1 (0.56) MMP13SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23816716 0.75 HDAC3 (0.44) MMP2MMP9MMP7MMP13SMN1; SMN2

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-20210284691-A1 CBX8 CHROMDOMAIN INHIBITORS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2021-09-16 US disclosed
US-20200385424-A1 CBX8 CHROMDOMAIN INHIBITORS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2020-12-10 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-20200385424-A1 CBX8 CHROMDOMAIN INHIBITORS AND THE USES THEREOF CBX8, CBX3, CBX2 MMP2 4265/4885MMP9 4101/4885MMP7 4099/4885
US-20210284691-A1 CBX8 CHROMDOMAIN INHIBITORS AND THE USES THEREOF CBX8, CBX3, CBX2 MMP2 4265/4885MMP9 4101/4885MMP7 4099/4885

“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.