SCHEMBL3166559

SCHEMBL3166559

Cc1nc2c(OCc3ccccc3)cccc2n1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
BRD4 O60885 1/20 0.43
PDPK1 O15530 1/20 0.43
PTGER1 P34995 1/20 0.43
EDNRA P25101 1/20 0.42
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL7965582 0.85 TNF (0.55) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL7981641 0.85 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1HTT
SCHEMBL4421421 0.80 MAPT (0.44) MAPTMAPK1TDP1L3MBTL1FFAR4
SCHEMBL5173716 0.79 MAPT (0.53) MAPTMAPK1TDP1L3MBTL1HTT
SCHEMBL24746679 0.77 THRB (0.46) GSK3BPDPK1PTGDR2KDM4EHSD17B10
SCHEMBL6079640 0.76 MAPK1 (0.46) MAPTMAPK1TDP1L3MBTL1HTT
SCHEMBL3164934 0.76 KDM4E (0.46) GSK3BMAPK1TDP1LMNATSHR
SCHEMBL7976919 0.74 KDM4E (0.45) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL24745161 0.73 PTGDR2 (0.50) GSK3BMAPTLMNATSHRHTT
SCHEMBL30000721 0.73 PTGDR2 (0.50) GSK3BMAPTLMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 GSK3B 4686/4885MAPT 2720/4885MAPK1 743/4885

“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.