SCHEMBL5643949

SCHEMBL5643949

COc1cc(C=O)c(O)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ERN1 O75460 10/20 0.46
▸ TRIM24 O15164 2/20 0.46
▸ TRIM33 Q9UPN9 2/20 0.46
▸ TYR P14679 1/20 0.46
▸ PRKDC P78527 2/20 0.44
▸ TLR2 O60603 1/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ TLR6 Q9Y2C9 1/20 0.42
▸ AOX1 Q06278 1/20 0.42
▸ ALDH5A1 P51649 1/20 0.42
▸ ABAT P80404 1/20 0.42

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
SCHEMBL10333651 0.93 HPGD (0.58) ALOX15HPGDCYP3A4LMNATP53
SCHEMBL22090755 0.85 ALDH1A1 (0.47) ALOX15HPGDCYP3A4LMNATP53
SCHEMBL4139930 0.84 ALDH1A1 (0.53) ALOX15HPGDCYP3A4LMNATP53
SCHEMBL6766871 0.82 HPGD (0.41) ALOX15HPGDCYP3A4LMNATP53
SCHEMBL23425288 0.81 ALDH1A1 (0.52) ALOX15HPGDCYP3A4LMNATP53
SCHEMBL31340075 0.81 ALDH1A1 (0.52) ALOX15HPGDCYP3A4LMNATP53
SCHEMBL29730976 0.81 ALDH1A1 (0.65) ALOX15HPGDCYP3A4ALDH1A1KDM4E
SCHEMBL333221 0.81 ALDH1A1 (0.65) ALOX15HPGDCYP3A4ALDH1A1KDM4E
SCHEMBL1004432 0.80 ALDH1A1 (0.57) ALOX15HPGDCYP3A4ALDH1A1KDM4E
SCHEMBL22635018 0.80 ALDH1A1 (0.69) ALOX15HPGDCYP3A4LMNAALDH1A1

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 ALOX15 133/4885HPGD 101/4885CYP3A4 346/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES ALOX15 104/4885HPGD 152/4885CYP3A4 294/4885

“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.

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