SCHEMBL5428038

SCHEMBL5428038

O=C(O)/C=C/c1oc(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.62
▸ PTGFR P43088 2/20 0.62
▸ PTGER3 P43115 2/20 0.62
▸ PTGER2 P43116 2/20 0.62
▸ PTGIR P43119 2/20 0.62
▸ PTGDR Q13258 2/20 0.62
▸ MAPT P10636 4/20 0.42
▸ ITGB2 P05107 2/20 0.42
▸ ICAM1 P05362 2/20 0.42
▸ ITGAL P20701 2/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 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
SCHEMBL5428042 1.00 TBXA2R (0.62) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL14584117 0.88 PTGER3 (0.48) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5435479 0.79 TBXA2R (0.49) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5428044 0.75 TBXA2R (0.45) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5430304 0.74 TBXA2R (0.59) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5430305 0.74 TBXA2R (0.59) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL14584121 0.67 NPC1 (0.38) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL31318330 0.67 CYP1A2 (0.67) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL8517861 0.67 CYP1A2 (0.67) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL31318329 0.67 CYP1A2 (0.67) TBXA2RPTGFRPTGER3PTGER2PTGIR

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-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 — — US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 — — US disclosed
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 — — 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-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR TBXA2R 745/4885PTGFR 936/4885PTGER3 773/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR TBXA2R 745/4885PTGFR 936/4885PTGER3 773/4885

“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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