SCHEMBL5645697

SCHEMBL5645697

COc1ccc(C=O)c(O)c1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.59
TLR2 O60603 1/20 0.59
TLR1 Q15399 1/20 0.59
TLR6 Q9Y2C9 1/20 0.59
ALDH1A1 P00352 2/20 0.47
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
AOX1 Q06278 1/20 0.46
CYP3A4 P08684 1/20 0.44

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
SCHEMBL13605931 0.85 ERN1 (0.59) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1527154 0.84 ERN1 (0.69) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL851964 0.82 ALDH1A1 (0.52) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL29953692 0.82 ALDH1A1 (0.52) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL10088414 0.81 ERN1 (0.44) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL3658867 0.81 ERN1 (0.59) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL29683824 0.81 ERN1 (0.59) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL28167879 0.80 ERN1 (0.42) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL30989418 0.79 ERN1 (0.58) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL5069879 0.79 ERN1 (0.58) ERN1TLR2TLR1TLR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106939026-B Preparation and application of ruthenium metal olefin metathesis catalyst 上海克琴科技有限公司 2020-03-20 CN disclosed
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
EP-0119294-B1 BENZISOXAZOLE CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1987-09-16 EP disclosed
US-4490384-A DIURETICS; HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1984-12-25 US disclosed
EP-0119294-A1 Benzisoxazole carboxylic acids ABBOTT LABORATORIES (US) 1984-09-26 EP disclosed
WO-1984003199-A1 BENZISOXAZOLE CARBOXYLIC ACIDS ABBOTT LAB (US) 1984-08-30 WO disclosed
US-4456612-A DIURETICS ABBOTT LABORATORIES (US) 1984-06-26 US disclosed
EP-0011839-B1 COUMARIN DERIVATIVES, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1983-02-16 EP disclosed
US-4363812-A 3-(Tetrazol-5-yl), 4-methyl-8-alkoxy coumarins and anti-allergic compositions thereof KAKENYAKU KAKO CO., LTD. (JP) 1982-12-14 US disclosed
EP-0011839-A1 Coumarin derivatives, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1980-06-11 EP 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 2661/4885TLR2 40/4885TLR1 105/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES ERN1 3395/4885TLR2 28/4885TLR1 78/4885

“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.