SCHEMBL2493322

SCHEMBL2493322

O=C(O)C(Oc1cc(OCCCl)cc(OCCCl)c1)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.40
▸ LDHA P00338 1/20 0.40
▸ PPARA Q07869 3/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34

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
SCHEMBL2495693 0.88 PPARG (0.52) PPARGPPARAKMT2AMEN1POLB
SCHEMBL10305237 0.86 ALDH1A1 (0.36) PPARGKMT2AMEN1KDM4EALDH1A1
SCHEMBL2495700 0.85 SMN1; SMN2 (0.40) PPARGLDHAKMT2AMEN1KDM4E
SCHEMBL2494917 0.83 PTGS2 (0.51) PPARGLDHAPPARAKDM4EALDH1A1
SCHEMBL1565617 0.77 LDHA (0.63) PPARGLDHAPPARAKMT2AMEN1
SCHEMBL2494857 0.76 PPARG (0.51) PPARGPPARAALDH1A1SMN1; SMN2LMNA
SCHEMBL1566439 0.75 LDHA (0.55) PPARGLDHAPPARAKMT2AMEN1
SCHEMBL933549 0.74 PPARG (0.58) PPARGLDHAPPARAKMT2AMEN1
SCHEMBL12190707 0.74 PPARG (0.44) PPARGPPARAL3MBTL1
SCHEMBL10305256 0.74 SMN1; SMN2 (0.39) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751127-B1 NOVEL CYLOPENTA[B]BENZOFURAN DERIVATIVES AND THE UTILIZATION THEREOF INTERMED DISCOVERY GMBH (DE) 2012-07-11 — — EP disclosed
US-8030347-B2 Cylopenta[b]benzofuran derivatives and the utilization thereof BAYER HEALTHCARE AG (DE) 2011-10-04 — — US disclosed
US-8030347-B2 Cylopenta[b]benzofuran derivatives and the utilization thereof BAYER HEALTHCARE AG (DE) 2011-10-04 — — US disclosed
US-8030347-B2 Cylopenta[b]benzofuran derivatives and the utilization thereof BAYER HEALTHCARE AG (DE) 2011-10-04 — — US disclosed
US-20090018113-A1 Novel Cylopenta[B]Benzofuran Derivatives and the Utilization Thereof BAYER HEALTHCARE AG (DE) 2009-01-15 — — US disclosed
US-20090018113-A1 Novel Cylopenta[B]Benzofuran Derivatives and the Utilization Thereof BAYER HEALTHCARE AG (DE) 2009-01-15 — — US disclosed
US-20090018113-A1 Novel Cylopenta[B]Benzofuran Derivatives and the Utilization Thereof BAYER HEALTHCARE AG (DE) 2009-01-15 — — 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-20090018113-A1 Novel Cylopenta[B]Benzofuran Derivatives and the Utilization Thereof FKBP1A, FKBP2, FKBP1B PPARG 1913/4885LDHA 2685/4885PPARA 1130/4885

“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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