SCHEMBL348111

SCHEMBL348111

CCCCOc1ccc(OCCCC)c2c1-c1c(OCCCC)ccc(OCCCC)c1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
LTA4H P09960 4/20 0.45
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR5A1 Q13285 1/20 0.43
ESR1 P03372 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MCHR1 Q99705 1/20 0.42
TLR8 Q9NR97 1/20 0.42
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL348188 0.90 NR5A1 (0.50) CYP1A2CYP2C9CYP2C19NR5A1ESR1
SCHEMBL348112 0.84 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19LTA4HGAA
SCHEMBL24608167 0.82 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19LTA4HGAA
SCHEMBL1984241 0.82 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19LTA4HGAA
SCHEMBL15120786 0.80 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19LTA4HGAA
1,2-Dibutoxybenzene SCHEMBL1226749 0.79 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19LTA4HGAA
1,2-Dibutoxybenzene SCHEMBL29428927 0.79 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19LTA4HGAA
SCHEMBL29502701 0.78 CNR1 (0.59) CYP1A2CYP2C9CYP2C19LTA4HGAA
SCHEMBL9770405 0.78 CNR1 (0.59) CYP1A2CYP2C9CYP2C19LTA4HGAA
SCHEMBL14331323 0.78 GAA (0.65) CYP1A2CYP2C9CYP2C19GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
US-8048982-B2 Method for producing aromatic compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-01 US disclosed
EP-2241547-A1 Method for producing aromatic compound polymer Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
EP-2241548-A1 Vanadium di-nuclear complex Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
US-20090018309-A1 Method for Producing Aromatic Compound Polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 US disclosed
EP-1767560-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER Sumitomo Chemical Company, Limited (JP) 2007-03-28 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 (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-20090018309-A1 Method for Producing Aromatic Compound Polymer PAH, MAOA, AHR CYP1A2 41/4885CYP2C9 166/4885CYP2C19 171/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR CYP1A2 42/4885CYP2C9 159/4885CYP2C19 173/4885

“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.