SCHEMBL323591

SCHEMBL323591

O=COCc1noc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
MAOB P27338 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.51
CYP3A4 P08684 1/20 0.51
BLM P54132 1/20 0.51
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 5/20 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
SCHEMBL28970676 0.84 LMNA (0.50) LMNACA12CA1CA2CA3
SCHEMBL11787899 0.77 LMNA (0.57) LMNACA12CA1CA2CA3
SCHEMBL1318890 0.77 LMNA (0.53) LMNACA12CA1CA2CA3
SCHEMBL5344950 0.75 LMNA (0.54) LMNACA12CA1CA2CA3
SCHEMBL1759493 0.75 LMNA (0.50) LMNACA12CA1CA2CA3
SCHEMBL9935474 0.74 LMNA (0.62) LMNACA12CA1CA2CA3
SCHEMBL24796250 0.74 LMNA (0.50) LMNACA12CA1CA2CA3
SCHEMBL2411271 0.74 LMNA (0.54) LMNACA12CA1CA2CA3
SCHEMBL6989879 0.72 LMNA (0.55) LMNACA12CA1CA2CA3
SCHEMBL692195 0.71 LMNA (0.58) LMNACA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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 (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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 LMNA 1608/4885CA12 4827/4885CA1 4647/4885

“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.