SCHEMBL21500436

SCHEMBL21500436

CC(C)N1C(=O)CCCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL21278138 0.97 PIK3CD (0.41) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL718764 0.92 PIK3CD (0.41) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL1698550 0.86 SMN1; SMN2 (0.41) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL20936142 0.77 PIK3CD (0.35) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL6956406 0.75
SCHEMBL24687672 0.73 BRD4 (0.56) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL22268217 0.73 SMN1; SMN2 (0.36) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL10426931 0.73 CHRM2 (0.46) PIK3CDBRD4BRD2SMN1; SMN2GAA
SCHEMBL319262 0.73 CHRM2 (0.46) PIK3CDBRD4BRD2SMN1; SMN2GAA
SCHEMBL10237820 0.73 CHRM2 (0.46) PIK3CDBRD4BRD2SMN1; SMN2GAA

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-11634390-B2 Agricultural chemicals GLOBACHEM NV (BE) 2023-04-25 US disclosed
US-20190322627-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-10-24 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-20190322627-A1 AGRICULTURAL CHEMICALS DDT, DHFR, AS3MT PIK3CD 2459/4885BRD4 1247/4885BRD2 1626/4885
US-11634390-B2 Agricultural chemicals DDT, DHFR, AS3MT PIK3CD 2459/4885BRD4 1247/4885BRD2 1626/4885

“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.