SCHEMBL5651196

SCHEMBL5651196

CCOC(=O)c1cc(C)cc(C=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.56
CYP3A4 P08684 2/20 0.47
USP2 O75604 1/20 0.47
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6299118 0.78 GAA (0.51) CYP3A4CA12CA1CA2CA7
SCHEMBL12685913 0.78 CA12 (0.59) ERN1CYP3A4USP2CA12CA1
SCHEMBL11557582 0.78 ERN1 (0.67) ERN1CYP3A4ALDH1A1MAPTL3MBTL1
SCHEMBL12552819 0.77 NR1H2 (0.57) ERN1CYP3A4USP2CA12CA1
SCHEMBL11067613 0.77 ALDH1A1 (0.53) CYP3A4CA12CA1CA2CA7
SCHEMBL12552811 0.75 CYP3A4 (0.55) ERN1CYP3A4USP2CA12CA1
SCHEMBL18386312 0.75 CA12 (0.54) ERN1CYP3A4USP2CA12CA1
SCHEMBL4788121 0.75 PTP4A1 (0.47) ERN1CYP3A4USP2CA12CA1
SCHEMBL26323190 0.74 CA12 (0.54) ERN1CYP3A4USP2CA12CA1
SCHEMBL19602472 0.74 CA12 (0.49) ERN1CYP3A4USP2CA12CA1

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 ERN1 2661/4885CYP3A4 346/4885USP2 2643/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES ERN1 3395/4885CYP3A4 294/4885USP2 2304/4885

“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.