SCHEMBL5648684

SCHEMBL5648684

COc1cccc(Cc2ccc(C)cc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.52
ACHE P22303 1/20 0.52
MAOB P27338 2/20 0.50
GPR55 Q9Y2T6 2/20 0.49
CNR1 P21554 1/20 0.49
DHFR P00374 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
IDH1 O75874 2/20 0.48
TAAR1 Q96RJ0 3/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FGFR1 P11362 1/20 0.46
FGFR4 P22455 1/20 0.46

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
SCHEMBL5646180 0.84 ANO1 (0.50) CNR2GPR55CNR1DHFRCHRM2
SCHEMBL8993225 0.83 IDH1 (0.47) CNR2GPR55CNR1DHFRCHRM2
SCHEMBL8993136 0.83 CNR2 (0.46) CNR2GPR55CNR1DHFRCHRM2
SCHEMBL23719038 0.83 CNR2 (0.51) CNR2ACHEMAOBGPR55CNR1
SCHEMBL28302613 0.81 L3MBTL1 (0.50) CNR2ACHEIDH1ALDH1A1
SCHEMBL18355946 0.81 MAOB (0.67) ACHEMAOBCHRM2CHRM1CHRM3
SCHEMBL8992807 0.80 CNR2 (0.46) CNR2MAOBGPR55CNR1DHFR
SCHEMBL13880096 0.80 MAOB (0.62) ACHEMAOBCHRM2CHRM1CHRM3
SCHEMBL28049296 0.79 PARP1 (0.57) CNR2GPR55CNR1DHFRIDH1
SCHEMBL2099512 0.78 CHRM2 (0.66) MAOBCHRM2CHRM1CHRM3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 CNR2 42/4885ACHE 2534/4885MAOB 971/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES CNR2 36/4885ACHE 1877/4885MAOB 688/4885

“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.