SCHEMBL7519031

SCHEMBL7519031

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.42
TBXA2R P21731 2/20 0.39
PTGDR Q13258 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7519017 0.91 PTGIR (0.42) PTGIRTBXA2RPTGDRKDM4EALDH1A1
SCHEMBL7524391 0.91 PTGIR (0.40) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7523958 0.90 ALDH1A1 (0.36) PTGIRPTGDRALDH1A1HPGDPOLB
SCHEMBL7529042 0.90 PTGIR (0.41) PTGIRTBXA2RPTGDRKDM4EALDH1A1
SCHEMBL7519310 0.87 PTGIR (0.43) PTGIRTBXA2RPTGDRKDM4EALDH1A1
SCHEMBL7523879 0.86 PPARD (0.43) PTGIRPTGDRKDM4EALDH1A1HPGD
SCHEMBL7517381 0.84 PTGIR (0.44) PTGIRPTGDRKDM4EALDH1A1HPGD
SCHEMBL7530733 0.84 PTGIR (0.39) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7521850 0.84 PPARA (0.37) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL7523443 0.84 PPARD (0.42) PTGIRPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US claimed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US claimed
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 11/4885TBXA2R 5/4885PTGDR 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.