SCHEMBL4415267

SCHEMBL4415267

CCC(C)COc1cc(Br)c(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2)cc1OCC(C)CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
NR1I2 O75469 1/20 0.33
TLR8 Q9NR97 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP8 Q96LD8 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
SCHEMBL4414160 0.81 MCHR1 (0.36) EGFRNR1I2TLR8ALDH1A1NPC1
SCHEMBL2764055 0.76 TLR8 (0.38) TLR8ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4415268 0.72 THRB (0.30)
SCHEMBL1823358 0.69 KIF11 (0.42) EGFRALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL14620935 0.68
SCHEMBL15195768 0.68 FFAR1 (0.48) ALDH1A1NPC1RAB9AL3MBTL1MEN1
SCHEMBL31026091 0.67 PTAFR (0.39) ALDH1A1NPC1RAB9AL3MBTL1HTT
SCHEMBL12167685 0.66 HTR1A (0.38) NR1I2TLR8
SCHEMBL12303998 0.66 MRGPRX4 (0.44) TLR8ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL5147675 0.66 TLR8 (0.45) TLR8ALDH1A1NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638594-B2 Conjugated polymers containing spirobifluorene units and the use thereof MERCK PATENT GMBH (DE) 2009-12-29 US disclosed
US-7323533-B2 Conjugated polymers containing spirobifluorene units and the use thereof COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2008-01-29 US disclosed
US-20070265473-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-11-15 US disclosed
EP-1427768-B1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF MERCK PATENT GMBH (DE) 2007-01-24 EP disclosed
US-20050038223-A1 Conjugated polymers containing spirobifluorene units and the use thereof MERCK PATENT GMBH (DE) 2005-02-17 US disclosed
EP-1427768-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-06-16 EP disclosed
WO-2003020790-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-03-13 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 (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-20070265473-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF ALDH1A2, SELE, PPOX EGFR 2814/4885NR1I2 524/4885TLR8 996/4885

“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.