SCHEMBL26124682

SCHEMBL26124682

Brc1ccc(CN2CCNCCN3CCNCCNCCN(CC2)CCN(Cc2ccc(Br)cc2)CCN(Cc2ccc(Br)cc2)CC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 12/20 0.58
MEN1 O00255 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
ADRA2C P18825 1/20 0.58
CCR2 P41597 1/20 0.58
CXCL12 P48061 1/20 0.58
BLM P54132 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
SIGMAR1 Q99720 1/20 0.54
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL725147 0.90 SIGMAR1 (0.66) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL28689372 0.88 CXCR4 (0.66) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL31341381 0.84 CXCR4 (0.58) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL2006300 0.83 CXCR4 (0.77) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL1259387 0.82 CXCR4 (0.81) CXCR4MEN1CHRM2CHRM1ADRA2C
Bromide SCHEMBL1257550 0.80 CXCR4 (0.78) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL1244075 0.80 ALDH1A1 (0.73) HRH3SIGMAR1ALDH1A1KDM4ELMNA
SCHEMBL17224097 0.80 SIGMAR1 (0.79) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL5573232 0.78 CXCR4 (0.78) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL2236508 0.78 LTA4H (0.49) CXCR4MEN1CHRM2CHRM1ADRA2C

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-20250122228-A1 METAL-ORGANIC COORDINATION COMPOUND COMPRISING CERIUM(III) BEEOLED GMBH (DE) 2025-04-17 US disclosed
EP-4323365-A1 METAL-ORGANIC COORDINATION COMPOUND COMPRISING CERIUM(III) beeOLED GmbH (DE) 2024-02-21 EP disclosed
WO-2023194363-A1 METAL-ORGANIC COORDINATION COMPOUND COMPRISING CERIUM(III) BEEOLED GMBH (DE) 2023-10-12 WO 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-20250122228-A1 METAL-ORGANIC COORDINATION COMPOUND COMPRISING CERIUM(III) ORC3, MNS1, OCIAD1 CXCR4 818/4885MEN1 400/4885CHRM2 1190/4885

“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.