SCHEMBL1994589

SCHEMBL1994589

CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-4)cc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.41
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
APEX1 P27695 1/20 0.39
PTPN11 Q06124 1/20 0.36
GPR3 P46089 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
SCHEMBL5662403 0.96 PDK2 (0.39) PDK2MMP2MMP9MMP8MMP13
SCHEMBL5660864 0.96 PDK2 (0.39) PDK2MMP2MMP9MMP8MMP13
SCHEMBL24257912 0.92 PDK2 (0.48) PDK2MMP2MMP9MMP8MMP13
SCHEMBL5498540 0.92 PDK2 (0.40) PDK2MMP2MMP9MMP8MMP13
SCHEMBL15165488 0.92 PDK2 (0.48) PDK2MMP2MMP9MMP8MMP13
SCHEMBL536401 0.91 MMP2 (0.46) PDK2MMP2MMP9MMP8MMP13
SCHEMBL28942264 0.91 MMP2 (0.46) PDK2MMP2MMP9MMP8MMP13
SCHEMBL16501148 0.91 MMP2 (0.39) PDK2MMP2MMP9MMP8MMP13
SCHEMBL26058207 0.91 PDK2 (0.41) PDK2MMP2MMP9MMP8MMP13
SCHEMBL27625534 0.91 PDK2 (0.36) PDK2MMP2MMP9MMP8MMP13

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 PDK2 1266/4885MMP2 4542/4885MMP9 4768/4885
US-20110272688-A1 ARYL-ARYL DENDRIMERS CD22, CLTB, AHR PDK2 1193/4885MMP2 4452/4885MMP9 4712/4885

“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.