SCHEMBL6364809

SCHEMBL6364809

O=C(O)C1=Cc2cc(C(F)(F)F)ccc2OC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 1/20 0.42
ALOX5 P09917 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 2/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOB P27338 1/20 0.38
SHMT2 P34897 1/20 0.38

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
SCHEMBL27648642 0.88 PTGS1 (0.44) PTGS1PTGS2KMT2AALOX5KDM4E
SCHEMBL13366369 0.85 CA12 (0.51) PTGS1PTGS2KMT2AMEN1HTT
SCHEMBL3187719 0.81 MEN1 (0.46) PTGS1PTGS2KMT2AMEN1HTT
SCHEMBL1208429 0.79 PTGS1 (0.56) PTGS1PTGS2KMT2AMEN1HTT
SCHEMBL545919 0.78 MEN1 (0.46) KMT2AMEN1HTTALOX5KDM4E
SCHEMBL28804341 0.78 ALDH1A1 (0.50) KMT2AMEN1HTTALOX5KDM4E
SCHEMBL432482 0.77 MEN1 (0.66) PTGS1PTGS2KMT2AMEN1HTT
SCHEMBL20839505 0.77 MEN1 (0.48) PTGS2KMT2AMEN1HTTALOX5
SCHEMBL416748 0.77 MAPT (0.56) PTGS1PTGS2KMT2AMEN1HTT
SCHEMBL9160812 0.76 RXRA (0.46) PTGS1PTGS2

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
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed
US-20050101563-A1 Method and compositions for the treatment and prevention of pain and inflammation PHARMACIA CORPORATION (US) 2005-05-12 US disclosed
US-20050085478-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a low-molecular-weight heparin for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-21 US disclosed
US-20050085479-A1 Mediated central nervous system compositions of a cyclooxygenase-2 selective inhibitor and a corticotropin releasing factor antagonist for the treatment of ischemic disorders or injury PHARMACIA CORPORATION 2005-04-21 US disclosed
US-20050080083-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an angiotensin II receptor antagonist for the treatment of central nervous system damage PHARMACIA CORPORATION (US) 2005-04-14 US disclosed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 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 (5 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-20050085479-A1 Mediated central nervous system compositions of a cyclooxygenase-2 selective inhibitor and a corticotropin releasing factor antagonist for the treatment of ischemic disorders or injury CRH, CRHR2, CRHR1 PTGS1 9/4885PTGS2 6/4885KMT2A 4349/4885
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage TPH2, TPH1, HTR2A PTGS1 16/4885PTGS2 9/4885KMT2A 4040/4885
US-20050085478-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a low-molecular-weight heparin for the treatment of central nervous system damage PTGS2, PTGS1, PTGER2 PTGS1 2/4885PTGS2 1/4885KMT2A 3304/4885
US-20050101563-A1 Method and compositions for the treatment and prevention of pain and inflammation PTGES2, PTGS2, PTGS1 PTGS1 3/4885PTGS2 2/4885KMT2A 3732/4885
US-20050080083-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an angiotensin II receptor antagonist for the treatment of central nervous system damage AGTR2, AGTR1, ACE2 PTGS1 20/4885PTGS2 7/4885KMT2A 3272/4885

“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.