SCHEMBL3965563

SCHEMBL3965563

O=C(O)Cc1cc(OCc2ccccc2)ccc1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.51
FFAR1 O14842 3/20 0.50
MAOB P27338 3/20 0.50
NR4A2 P43354 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 2/20 0.49
PARP10 Q53GL7 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 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
SCHEMBL13760569 0.87 PPARG (0.53) FFAR1MAOBPARP10RXRARXRB
SCHEMBL4418983 0.87 NR4A2 (0.54) FFAR1MAOBNR4A2PARP10LMNA
SCHEMBL7823412 0.84 PTGER1 (0.54) CFDFFAR1MAOBNR4A2FFAR4
SCHEMBL24159702 0.83 MAOB (0.54) MAOBNR4A2MEN1KMT2AALOX5
SCHEMBL2212877 0.83 ALOX5 (0.53) MAOBNR4A2NR4A1NR4A3ALOX5
SCHEMBL27736814 0.83 NPC1 (0.46) MAOBLTB4RLTB4R2
SCHEMBL11965262 0.82 MAOB (0.54) FFAR1MAOBNR4A2FFAR4NR4A1
SCHEMBL11481942 0.82 PARP10 (0.51) CFDFFAR1MAOBNR4A2FFAR4
SCHEMBL135151 0.82 MRGPRX4 (0.53) CFDFFAR1MAOBNR4A2FFAR4
SCHEMBL2937785 0.82 LTB4R (0.66) FFAR1MAOBNR4A2FFAR4NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CFD 725/4885FFAR1 111/4885MAOB 880/4885

“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.