SCHEMBL1798477

SCHEMBL1798477

O=[C]c1cc(Br)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
TLR9 Q9NR96 1/20 0.46
S100A4 P26447 1/20 0.41
ALOX15 P16050 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPRC P08575 1/20 0.35
AHR P35869 3/20 0.33
CYP2A6 P11509 3/20 0.33
SLC1A5 Q15758 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
NR4A2 P43354 1/20 0.32
CES2 O00748 1/20 0.32
GALR3 O60755 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 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
SCHEMBL11508298 0.82 HSP90AA1 (0.37) HSP90AA1TLR9S100A4ALOX15ALDH1A1
SCHEMBL1801733 0.80 HSP90AA1 (0.46) HSP90AA1TLR9S100A4ALOX15ALDH1A1
SCHEMBL8370195 0.78 HSP90AA1 (0.30) HSP90AA1TLR9
SCHEMBL28759368 0.76 S100A4 (0.38) S100A4ALOX15ALDH1A1MAPK1TDP1
SCHEMBL3083170 0.76 ALDH1A1 (0.35) HSP90AA1ALOX15ALDH1A1MAPK1TDP1
SCHEMBL19259371 0.76 KDM4E (0.45) HSP90AA1TLR9S100A4ALOX15ALDH1A1
SCHEMBL6897410 0.76 ALDH1A1 (0.40) HSP90AA1TLR9S100A4ALDH1A1MAPK1
SCHEMBL5160436 0.76 ALOX15 (0.50) ALOX15ALDH1A1CYP1A2CYP2C9CES2
SCHEMBL11807340 0.75
SCHEMBL1343188 0.75 MAOB (0.44) HSP90AA1TLR9S100A4ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2796455-A1 METHOD FOR PRODUCING SULFONATE Sumitomo Chemical Co., Ltd (JP) 2014-10-29 EP disclosed
EP-1889826-B1 METHOD FOR PRODUCING A HEXAHYDROFUROFURANOL DERIVATIVE SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
US-7951977-B2 Process for producing hexahydrofurofuranol derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-31 US disclosed
US-20090176999-A1 Process for producing hexahydrofurofuranol derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
EP-1889826-A1 METHOD FOR PRODUCING HEXAHYDROFUROFURANOL DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2008-02-20 EP 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-20090176999-A1 Process for producing hexahydrofurofuranol derivative DHFR, DHPS, CYP4B1 HSP90AA1 4204/4885TLR9 3486/4885S100A4 4701/4885

“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.