SCHEMBL21767239

SCHEMBL21767239

CCn1c(C)cc(C(C)C)c(O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GABRA1 P14867 4/20 0.41
GABRB1 P18505 3/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GABRB2 P47870 2/20 0.37
SRC P12931 1/20 0.37
GSR P00390 1/20 0.36
RAB9A P51151 1/20 0.36
BTK Q06187 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2B6 P20813 1/20 0.35
USP2 O75604 1/20 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
SCHEMBL23961767 0.77 GABRA1 (0.45) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL15739494 0.75 GABRA1 (0.44) LMNAGABRA1GABRB1CA1CA2
SCHEMBL8142845 0.66 MAPT (0.54) LMNAGABRA1GABRB1CA1CA2
SCHEMBL11427185 0.64 POLB (1.00) KDM4ELMNAPOLBCA1CA2
SCHEMBL7608585 0.64 MAPT (0.45) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL14032323 0.64 KDM4E (1.00) KDM4ELMNAPOLBGAAUSP2
SCHEMBL30352664 0.64 POLB (0.54) KDM4ELMNAPOLBSRCRAB9A
SCHEMBL7546969 0.63 POLB (0.49) KDM4ELMNAPOLBSRCRAB9A
SCHEMBL25274613 0.63 CA1 (0.45) LMNAGABRA1GABRB1CA1CA2
SCHEMBL20592337 0.62 MAPT (0.37) GABRA1GABRB1CA1CA2GABRB2

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-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 US disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 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-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 KDM4E 4605/4885LMNA 3330/4885POLB 1462/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 KDM4E 4605/4885LMNA 3330/4885POLB 1462/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 KDM4E 4605/4885LMNA 3330/4885POLB 1462/4885

“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.