SCHEMBL1994591

SCHEMBL1994591

CCCCCCC1(CCCCCC)c2[c]c(-c3[c]c4c(cc3)-c3ccccc3C4(CCCCCC)CCCCCC)ccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
PDK2 Q15119 4/20 0.37
APEX1 P27695 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP3 P08254 1/20 0.33
GPR3 P46089 1/20 0.32
PGR P06401 1/20 0.31
PTPN1 P18031 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL3195485 0.84 APEX1 (0.46) MMP2MMP9MMP8MMP13PDK2
SCHEMBL447132 0.82 MMP2 (0.38) MMP2MMP9MMP8MMP13PDK2
SCHEMBL4879225 0.82 MMP2 (0.38) MMP2MMP9MMP8MMP13PDK2
SCHEMBL1395156 0.82 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL17034549 0.82 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL6060916 0.82 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL1681761 0.82 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL6060689 0.82 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL6060635 0.82 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2
SCHEMBL14736023 0.82 APEX1 (0.47) MMP2MMP9MMP8MMP13PDK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8319213-B2 Aryl-aryl dendrimers ISIS INNOVATION LIMITED (GB) 2012-11-27 US disclosed
US-20110272688-A1 ARYL-ARYL DENDRIMERS THE UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2011-11-10 US disclosed
US-7960725-B2 Aryl-aryl dendrimers ISIS INNOVATION LIMITED (GB) 2011-06-14 US disclosed
US-20100127251-A1 Aryl-Aryl Dendrimers ISIS INNOVATION LIMITED (GB) 2010-05-27 US disclosed
US-7632576-B2 Aryl-aryl dendrimers ISIS INNOVATION LIMITED (GB) 2009-12-15 US disclosed
US-20040169463-A1 Aryl-aryl dendrimers CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2004-09-02 US disclosed
EP-1362382-A1 ARYL-ARYL DENDRIMERS ISIS INNOVATION LIMITED (GB) 2003-11-19 EP disclosed
WO-2002067343-A1 ARYL-ARYL DENDRIMERS ISIS INNOVATION LIMITED (GB) 2002-08-29 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 (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-20100127251-A1 Aryl-Aryl Dendrimers CLTB, AHR, CD22 MMP2 4542/4885MMP9 4768/4885MMP8 4494/4885
US-20110272688-A1 ARYL-ARYL DENDRIMERS CD22, CLTB, AHR MMP2 4452/4885MMP9 4712/4885MMP8 4370/4885

“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.