SCHEMBL16489221

SCHEMBL16489221

COCCCNC(=O)CCC(=O)NCCNCCN

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPHX2 P34913 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL21658067 0.87 TSHR (0.51) TSHRKDM4ELMNAHPGDMEN1
SCHEMBL19370866 0.82 TSHR (0.75) TSHRKDM4ELMNAHPGDMEN1
SCHEMBL17465487 0.81 TSHR (0.54) TSHRKDM4ELMNAHPGDMEN1
SCHEMBL27402755 0.81 TSHR (0.50) TSHRKDM4ELMNAHPGDMEN1
SCHEMBL16376361 0.81 TSHR (0.50) TSHRKDM4ELMNAHPGDMEN1
SCHEMBL16489191 0.81 TSHR (0.73) TSHRKDM4ELMNAHPGDMEN1
SCHEMBL23571289 0.81 TSHR (0.67) TSHRKDM4ELMNAHPGDMEN1
SCHEMBL14521249 0.80 ALDH1A1 (0.47) TSHRKDM4ELMNAHPGDMEN1
SCHEMBL21821634 0.80 TSHR (0.84) TSHRKDM4ELMNAHPGDMEN1
SCHEMBL21155013 0.79 TSHR (0.70) TSHRKDM4ELMNAHPGDMEN1

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-9114177-B2 Block copolymer having phenylboronic acid group introduced therein, and use thereof THE UNIVERSITY OF TOKYO (JP) 2015-08-25 US disclosed
US-20150051347-A1 BLOCK COPOLYMER HAVING PHENYLBORONIC ACID GROUP INTRODUCED THEREIN, AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2015-02-19 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-20150051347-A1 BLOCK COPOLYMER HAVING PHENYLBORONIC ACID GROUP INTRODUCED THEREIN, AND USE THEREOF SLC1A5, BPGM, BDKRB1 TSHR 1108/4885KDM4E 2428/4885LMNA 2273/4885

“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.