SCHEMBL4942406

SCHEMBL4942406

Cc1c(I)cccc1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
PTGS2 P35354 6/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
PTGS1 P23219 2/20 0.44
STING1 Q86WV6 2/20 0.43
GLA P06280 1/20 0.43
CYP1A2 P05177 2/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL13751481 0.80 KDM4E (0.43) TDP1PTGS2GLACYP1A2CYP2D6
SCHEMBL29363967 0.80 PTGS2 (0.57) AKR1B1TDP1PTGS2GRIN2DGRIN3B
SCHEMBL228994 0.80 PTGS2 (0.57) AKR1B1TDP1PTGS2GRIN2DGRIN3B
SCHEMBL30561548 0.79 AKR1B1 (0.61) AKR1B1TDP1PTGS2PTGS1CYP1A2
SCHEMBL314806 0.79 AKR1B1 (0.61) AKR1B1TDP1PTGS2PTGS1CYP1A2
SCHEMBL3907285 0.78 AKR1B1 (0.67) AKR1B1TDP1PTGS2GRIN2DGRIN3B
Acetic Acid SCHEMBL8565181 0.78 CYP1A2 (0.56) AKR1B1TDP1PTGS2PTGS1CYP1A2
Hydrochloric Acid SCHEMBL49165 0.78 PTGS2 (0.56) AKR1B1TDP1PTGS2GRIN2DGRIN3B
SCHEMBL289780 0.78 AKR1B1 (0.50) AKR1B1TDP1PTGS2GRIN2DGRIN3B
Acetic Acid SCHEMBL5540371 0.78 AKR1B1 (0.46) AKR1B1TDP1PTGS2GRIN2DGRIN3B

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
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI AKR1B1 2339/4885TDP1 1908/4885PTGS2 622/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 AKR1B1 588/4885TDP1 4214/4885PTGS2 3493/4885

“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.