SCHEMBL6072552

SCHEMBL6072552

COC(=O)c1ccc(Br)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
NR4A2 P43354 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SORT1 Q99523 12/20 0.50
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
MYC P01106 1/20 0.47
NR4A1 P22736 1/20 0.47
HSD17B10 Q99714 2/20 0.47

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
Dimethyl Phthalate SCHEMBL29269027 0.93 ALDH1A1 (0.56) ALDH1A1GAAKDM4EGLANR4A2
SCHEMBL6072149 0.93 ALDH1A1 (0.54) ALDH1A1GAAKDM4EGLANR4A2
SCHEMBL29773857 0.90 NR4A2 (0.56) ALDH1A1GAAKDM4EGLANR4A2
SCHEMBL4577829 0.90 NR4A2 (0.56) ALDH1A1GAAKDM4EGLANR4A2
SCHEMBL24252797 0.85 TSHR (0.52) ALDH1A1GAAKDM4EGLANR4A2
SCHEMBL16961315 0.85 NR4A2 (0.51) ALDH1A1GAAKDM4EGLANR4A2
SCHEMBL16050286 0.84 ALDH1A1 (0.50) ALDH1A1GAAKDM4EGLANR4A2
SCHEMBL7370270 0.84 DGAT1 (0.53) ALDH1A1GAAKDM4EGLANR4A2
SCHEMBL25229615 0.83 L3MBTL1 (0.50) ALDH1A1GAAKDM4EGLANR4A2
SCHEMBL30393373 0.83 L3MBTL1 (0.50) ALDH1A1GAAKDM4EGLANR4A2

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-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
CN-1681823-A Furoisoquinoline derivative and its application TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-12 CN disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
EP-0363922-B1 The process for the preparation of 3,3',4,4'-biphenyltetracarboxylic acid and its derivatives CHANGCHUN APPLIED CHEMISTRY (CN) 1996-04-10 EP disclosed
US-5081281-A Process for the preparation of 3,3',4,4'-biphenyltetracarboxylic acid and its derivatives CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY (CN) 1992-01-14 US disclosed
EP-0363922-A2 The process for the preparation of 3,3',4,4'-biphenyltetracarboxylic acid and its derivatives CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY (CN) 1990-04-18 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-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A ALDH1A1 423/4885GAA 3467/4885KDM4E 358/4885

“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.