SCHEMBL10001904

SCHEMBL10001904

O=S(=O)(O)c1ccc2ccc3ccc(S(=O)(=O)O)c4ccc1c2c34

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
CTRB1 P17538 1/20 0.45
CYP1A2 P05177 4/20 0.42
TTR P02766 2/20 0.41
COMT P21964 1/20 0.39
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
MPL P40238 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP6 P55212 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
FABP4 P15090 1/20 0.37
CCNA2 P20248 1/20 0.37

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
SCHEMBL11528264 0.98 AURKA (0.46) AURKAAURKBCTRB1CYP1A2TTR
SCHEMBL3822788 0.92 AURKA (0.42) AURKAAURKBCTRB1CYP1A2TTR
SCHEMBL28203347 0.92 AURKA (0.50) AURKAAURKBCTRB1CYP1A2TTR
SCHEMBL29623330 0.92 AURKA (0.50) AURKAAURKBCTRB1CYP1A2TTR
SCHEMBL139959 0.92 AURKA (0.50) AURKAAURKBCTRB1CYP1A2TTR
SCHEMBL30218795 0.92 AURKA (0.42) AURKAAURKBCTRB1CYP1A2TTR
SCHEMBL29825144 0.92 AURKA (0.50) AURKAAURKBCTRB1CYP1A2TTR
Water SCHEMBL14688267 0.90 AURKA (0.49) AURKAAURKBCTRB1CYP1A2TTR
SCHEMBL592128 0.90 AURKA (0.49) AURKAAURKBCTRB1CYP1A2TTR
Hydrochloric Acid SCHEMBL11162639 0.90 CTRB1 (0.50) AURKAAURKBCTRB1CYP1A2TTR

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
US-8093304-B2 Demulsification of water-in-oil emulsion EXXONMOBIL UPSTREAM RESEARCH COMPANY (US) 2012-01-10 US disclosed
US-20090004485-A1 6-MEMBER RING STRUCTURE USED IN ELECTROLUMINESCENT DEVICES GLOBAL OLED TECHNOLOGY LLC 2009-01-01 US disclosed
US-20070278941-A1 ELECTROLUMINESCENT DEVICES HAVING CONJUGATED ARYLAMINE POLYMERS ZHENG SHIYING 2007-12-06 US disclosed
US-7288329-B2 Electroluminescent devices including conjugated polymers containing an azole structure EASTMAN KODAK COMPANY (US) 2007-10-30 US disclosed
US-20070187673-A1 ELECTROLUMINESCENT DEVICES HAVING PENDANT NAPHTHYLANTHRACENE-BASED POLYMERS EASTMAN KODAK COMANY 2007-08-16 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 (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-20090004485-A1 6-MEMBER RING STRUCTURE USED IN ELECTROLUMINESCENT DEVICES SOD1, SCO2, SOD3 AURKA 2045/4885AURKB 2847/4885CTRB1 3069/4885

“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.