SCHEMBL21076370

SCHEMBL21076370

CC(C)(CO)CN1CCCNCCNCCCN(CCO)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 10/20 0.42
MEN1 O00255 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2C P18825 1/20 0.32
CCR2 P41597 1/20 0.32
CXCL12 P48061 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL21076379 0.97 CXCR4 (0.39) CXCR4MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL22996254 0.94 CXCR4 (0.44) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL12958913 0.83 CXCR4 (0.57) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL22996262 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL12958890 0.79 CXCR4 (0.57) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL12958915 0.79 CXCR4 (0.63) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL12958916 0.79 CXCR4 (0.52) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL5858718 0.77 SIGMAR1 (0.40) CXCR4MEN1CHRM2CHRM1KMT2A
SCHEMBL12958919 0.77 CXCR4 (0.61) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL12958880 0.76 CXCR4 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190167795-A1 CONJUGATED LIPOMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-06-06 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-20190167795-A1 CONJUGATED LIPOMERS AND USES THEREOF EZH2, LIPC, PUF60 CXCR4 226/4885MEN1 1251/4885CHRM2 3366/4885

“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.