SCHEMBL7517062

SCHEMBL7517062

O=C(O)COc1cccc2c1CCc1sc(C(c3ccccc3)c3ccccc3)nc1-2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.48
PTGDR2 Q9Y5Y4 11/20 0.46
PTGDR Q13258 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7517381 0.84 PTGIR (0.44) PTGIRPTGDR2PTGDRKDM4EALDH1A1
SCHEMBL7519310 0.84 PTGIR (0.43) PTGIRPTGDRKDM4EALDH1A1HPGD
SCHEMBL7519031 0.83 PTGIR (0.42) PTGIRPTGDRKDM4EALDH1A1HPGD
SCHEMBL7517921 0.82 KDM4E (0.41) PTGIRPTGDR2PTGDRKDM4EALDH1A1
SCHEMBL7526025 0.82 KDM4E (0.42) PTGIRPTGDR2PTGDRKDM4EALDH1A1
SCHEMBL7522968 0.82 PTGDR2 (0.41) PTGIRPTGDR2PTGDRKDM4EALDH1A1
SCHEMBL7514860 0.82 PTGIR (0.42) PTGIRPTGDRKDM4EALDH1A1HPGD
SCHEMBL7520084 0.82 PTGIR (0.42) PTGIRPTGDRKDM4EALDH1A1HPGD
SCHEMBL7519017 0.82 PTGIR (0.42) PTGIRPTGDRKDM4EALDH1A1HPGD
SCHEMBL7528223 0.82 POLB (0.45) PTGIRPTGDR2PTGDRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US 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 (1 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR PTGIR 11/4885PTGDR2 10/4885PTGDR 3/4885

“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.