SCHEMBL22647693

SCHEMBL22647693

CC(C)NC1CCCCCCCC1NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SHBG P04278 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
EPHX1 P07099 2/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP2 P08253 1/20 0.30
CA9 Q16790 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
SCHEMBL4417021 0.97 PIM1 (0.42) PIM1KDM4EATMADRB2GAA
SCHEMBL20061124 0.97 PIM1 (0.42) PIM1KDM4EATMADRB2GAA
SCHEMBL13303583 0.97 PIM1 (0.42) PIM1KDM4EATMADRB2GAA
Hydrochloric Acid SCHEMBL6656735 0.91 PIM1 (0.40) PIM1KDM4EADRB2GAAL3MBTL1
SCHEMBL9885359 0.86 PIM1 (0.38) PIM1KDM4EADRB2
SCHEMBL24316216 0.85 ALDH1A1 (0.48) PIM1KDM4EATMALDH1A1HSD17B10
SCHEMBL22647692 0.83 PIM1 (0.34) PIM1
SCHEMBL8905513 0.82 CA1 (0.39) PIM1KDM4EATMADRB2TAS1R3
SCHEMBL23970203 0.82 CA1 (0.39) PIM1KDM4EATMADRB2TAS1R3
SCHEMBL23970227 0.82 CA1 (0.39) PIM1KDM4EATMADRB2TAS1R3

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-11717803-B2 Porous materials UNIV LIVERPOOL (GB) 2023-08-08 US disclosed
US-20200353439-A1 POROUS MATERIALS UNIV LIVERPOOL (GB) 2020-11-12 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-11717803-B2 Porous materials SRM, CAPG, GRN PIM1 1554/4885KDM4E 1120/4885ATM 163/4885
US-20200353439-A1 POROUS MATERIALS SRM, CAPG, GRN PIM1 1554/4885KDM4E 1120/4885ATM 163/4885

“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.