SCHEMBL21076357

SCHEMBL21076357

CCN1CCCN(CCO)CCCN(CC)CCN(CCO)CCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2D6 P10635 1/20 0.41
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
HSD11B1 P28845 1/20 0.37
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 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
SCHEMBL21076300 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL21076323 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL13915394 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL13915448 0.98 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL22996243 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL22996249 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL22996224 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL323447 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL22996226 0.88 CXCR4 (0.44) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL22996258 0.88 CXCR4 (0.44) ALDH1A1KDM4EKMT2AMEN1CYP3A4

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-10933139-B2 Conjugated lipomers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-02 US disclosed
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 (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-20190167795-A1 CONJUGATED LIPOMERS AND USES THEREOF EZH2, LIPC, PUF60 ALDH1A1 1831/4885KDM4E 812/4885KMT2A 369/4885
US-10933139-B2 Conjugated lipomers and uses thereof EZH2, LIPC, PUF60 ALDH1A1 1831/4885KDM4E 812/4885KMT2A 369/4885

“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.