SCHEMBL2250260

SCHEMBL2250260

CCCCOc1[c]cc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
GPBAR1 Q8TDU6 2/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
TLR8 Q9NR97 3/20 0.43
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2257804 0.95 LTA4H (0.42) LTA4HGPBAR1CYSLTR2CYSLTR1TLR8
SCHEMBL8681118 0.91 GPBAR1 (0.43) LTA4HGPBAR1CYSLTR2CYSLTR1TLR8
SCHEMBL358637 0.84 ALDH1A1 (0.37) LTA4HGPBAR1CYSLTR2CYSLTR1TDP1
SCHEMBL2253339 0.83 LTA4H (0.39) LTA4HTLR8CYP1A2L3MBTL1TDP1
SCHEMBL2258966 0.79 LTA4H (0.36) LTA4HTLR8CYP1A2L3MBTL1TDP1
SCHEMBL4063778 0.76 LTA4H (0.39) LTA4HCYP2C9CYP2C19CYP1A2TSHR
SCHEMBL2677998 0.76 LTA4H (0.46) LTA4HCYP2C9CYP2C19CYP1A2TSHR
SCHEMBL6839797 0.76 LTA4H (0.50) LTA4HGPBAR1CYSLTR2CYSLTR1TLR8
SCHEMBL406684 0.75 ALOX5 (0.53) CYP2C19CYP1A2L3MBTL1MAPTRAB9A
SCHEMBL27768841 0.75 TLR8 (0.62) LTA4HGPBAR1CYSLTR2CYSLTR1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916244-B1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-12-04 EP disclosed
CN-101282959-B Thiophene compound having sulfonyl group and method for producing same NISSAN CHEMICAL IND LTD 2013-04-17 CN disclosed
EP-1882694-B1 OLIGOMERS AND POLYMERS OF THIOPHENE COMPOUNDS HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-04-03 EP disclosed
US-8030438-B2 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-04 US disclosed
US-8008425-B2 Thiophene compound having sulfonyl group and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-30 US disclosed
CN-102027631-A Dye for dye-sensitized solar cell and dye-sensitized solar cell NISSAN CHEMICAL IND LTD 2011-04-20 CN disclosed
US-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2010-01-28 US disclosed
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
CN-101282959-A Thiophene compound having sulfonyl group and method for producing same NISSAN CHEMICAL IND LTD (JP) 2008-10-08 CN disclosed
CN-101208349-A Thiophene compound having phosphate ester and method for producing same NISSAN CHEMICAL IND LTD (JP) 2008-06-25 CN disclosed
EP-1916244-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-04-30 EP disclosed
EP-1882694-A1 THIOPHENE COMPOUND HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-01-30 EP disclosed
US-3959277-A Diimidazopyrazines and tetracarboxamidopyrazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-25 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-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same RRP12, NR2E1, TST LTA4H 2707/4885GPBAR1 2438/4885CYSLTR2 1596/4885
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME TST, ABCG2, CBR3 LTA4H 1627/4885GPBAR1 3158/4885CYSLTR2 762/4885

“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.