SCHEMBL5645648

SCHEMBL5645648

CC(=O)Oc1cccc(C(=O)c2ccccc2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 4/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
ESR1 P03372 1/20 0.59
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
HMGB1 P09429 1/20 0.59
TSHR P16473 1/20 0.59
GGT1 P19440 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
BLM P54132 1/20 0.59
NAPRT Q6XQN6 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 3/20 0.56
MAPT P10636 3/20 0.56
ELANE P08246 2/20 0.54
ACHE P22303 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL5308300 0.86 KDM4E (0.72) KDM4EHSD17B10ALDH1A1HPGDESR1
SCHEMBL11445976 0.86 ACHE (0.49) KDM4EHSD17B10ALDH1A1HPGDESR1
SCHEMBL11068512 0.85 MAPT (0.57) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL6178884 0.84 KDM4E (0.70) KDM4EHSD17B10ALDH1A1HPGDESR1
SCHEMBL189444 0.83 MAPK1 (0.73) KDM4EHSD17B10ALDH1A1HPGDESR1
SCHEMBL6211201 0.83 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDESR1
SCHEMBL277364 0.82 ELANE (0.54) KDM4EHSD17B10ALDH1A1HPGDESR1
Water SCHEMBL27844350 0.82 KDM4E (0.57) KDM4EHSD17B10ALDH1A1HPGDESR1
SCHEMBL2238585 0.81 MAPK1 (0.59) KDM4EHSD17B10ALDH1A1HPGDESR1
SCHEMBL27530755 0.81 MAPT (0.57) KDM4EHSD17B10ALDH1A1HPGDESR1

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 KDM4E 2839/4885HSD17B10 1294/4885ALDH1A1 560/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES KDM4E 2470/4885HSD17B10 1121/4885ALDH1A1 422/4885

“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.