SCHEMBL22167019

SCHEMBL22167019

COC(=O)c1cc(C)cc(CN2CCN(Cc3cc(I)cc(C(=O)OC)n3)CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.40
FGFR1 P11362 1/20 0.38
TBK1 Q9UHD2 3/20 0.37
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
TERT O14746 1/20 0.37
NR1H2 P55055 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PARP1 P09874 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL17481790 0.95 ACKR3 (0.42) ACKR3TBK1CCNKCDK12NR1H2
SCHEMBL17481785 0.83 ALDH1A1 (0.40) ALDH1A1PARP1RXFP1
SCHEMBL22167004 0.83 SYK (0.39) FGFR1RXFP1CHRM3
SCHEMBL22166943 0.83 VEGFA (0.44) ACKR3NR1H2ALDH1A1
SCHEMBL22166944 0.78 ACHE (0.48) ACKR3TERTNR1H2ALDH1A1PARP1
SCHEMBL16232834 0.77 RXFP1 (0.38) ACKR3TBK1CCNKCDK12NR1H2
SCHEMBL17481786 0.77 MEN1 (0.41) ALDH1A1CHRM3
SCHEMBL862380 0.76 ACKR3 (0.43) ACKR3FGFR1CCNKCDK12TERT
SCHEMBL15895074 0.76 ALDH1A1 (0.47) ALDH1A1
SCHEMBL29132216 0.75 NR1H2 (0.45) ACKR3CCNKCDK12TERTNR1H2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696694-B2 Lanthanide complexes for crystallising biological macromolecules and determining the crystallographic structure thereof ECOLE NORMALE SUPERIEURE LE LYON (FR) 2020-06-30 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 (1 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-10696694-B2 Lanthanide complexes for crystallising biological macromolecules and determining the crystallographic structure thereof SSB, F12, LGALS1 ACKR3 522/4885FGFR1 208/4885TBK1 4385/4885

“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.