SCHEMBL2000265

SCHEMBL2000265

CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(Br)ccc3-4)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
PDK2 Q15119 1/20 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
SCHEMBL13480894 1.00 RAB9A (0.35) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL22749433 1.00 RAB9A (0.35) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL10357544 0.97 NPC1 (0.34) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL11887578 0.94 NPC1 (0.36) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL27177388 0.94 NPC1 (0.36) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL10013961 0.94 NPC1 (0.36) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL12379624 0.94 NPC1 (0.36) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL196456 0.94 LMNA (0.36) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL197894 0.94 LMNA (0.36) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL1795138 0.94 LMNA (0.36) RAB9ANPC1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973983-B1 BRANCHED COMPOUNDS AND THEIR USE IN SENSORS ISIS INNOVATION (GB) 2016-03-30 EP disclosed
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-7812323-B2 Branched compounds and their use in sensors ISIS INNOVATION LIMITED (GB) 2010-10-12 US disclosed
US-20100127251-A1 Aryl-Aryl Dendrimers ISIS INNOVATION LIMITED (GB) 2010-05-27 US disclosed
US-20090314957-A1 Branched Compounds And Their Use in Sensors OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-12-24 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

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 RAB9A 3225/4885NPC1 2810/4885NFKB1 3494/4885
US-20110272688-A1 ARYL-ARYL DENDRIMERS CD22, CLTB, AHR RAB9A 2937/4885NPC1 2904/4885NFKB1 3135/4885

“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.