SCHEMBL16232292

SCHEMBL16232292

CCC(COC(=O)CCNCCN)(COC(=O)CCNCCN)COC(=O)CCNCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
LTA4H P09960 2/20 0.36
PAOX Q6QHF9 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CA12 O43570 3/20 0.33
CA6 P23280 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA5A P35218 2/20 0.32

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
SCHEMBL17779433 0.87 LTA4H (0.39) LTA4HPAOXALDH1A1CA12CA7
SCHEMBL20389259 0.82 CYP1A2 (0.45) CYP1A2ALDH1A1LMNATDP1ALOX15
SCHEMBL17428464 0.81 CYP1A2 (0.55) CYP1A2PAOXALDH1A1MEN1RECQL
SCHEMBL10837120 0.80 CYP1A2 (0.64) CYP1A2LTA4HPAOXALDH1A1CA12
SCHEMBL13616524 0.79 DGKA (0.39) LTA4HALDH1A1CA12CA7CA9
SCHEMBL13616523 0.79 DGKA (0.39) LTA4HALDH1A1CA12CA7CA9
SCHEMBL13756032 0.79 CYP1A2 (0.62) CYP1A2LTA4HALDH1A1CA12CA6
SCHEMBL11374530 0.79 CYP1A2 (0.62) CYP1A2LTA4HALDH1A1CA12CA6
Hydrochloric Acid SCHEMBL26095448 0.79 CYP1A2 (0.62) CYP1A2LTA4HPAOXALDH1A1KMT2A
SCHEMBL13616503 0.79 ALDH1A1 (0.35) LTA4HALDH1A1KMT2ATHRBMAPT

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-9403853-B2 Trimethylolpropane core, phosphonic acid terminated dendrimer and its preparation method TONGJI UNIVERSITY (CN) 2016-08-02 US disclosed
US-20140332470-A1 Trimethylolpropane core, phosphonic acid terminated dendrimer and its preparation method TONGJI UNIVERSITY (CN) 2014-11-13 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-20140332470-A1 Trimethylolpropane core, phosphonic acid terminated dendrimer and its preparation method PHOSPHO1, CACNA1H, KCNN2 CYP1A2 4007/4885LTA4H 1769/4885PAOX 296/4885

“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.