SCHEMBL2495700

SCHEMBL2495700

COCCOc1cc(OCCOC)cc(OC(C(=O)O)c2ccc(Br)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LDHA P00338 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ PPARG P37231 4/20 0.37
▸ PTGES O14684 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL10305256 0.88 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL2493322 0.85 PPARG (0.40) SMN1; SMN2LMNAMEN1KMT2ALDHA
SCHEMBL2494917 0.85 PTGS2 (0.51) SMN1; SMN2LDHAKDM4EPPARGALDH1A1
SCHEMBL10305237 0.77 ALDH1A1 (0.36) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL1565617 0.76 LDHA (0.63) SMN1; SMN2LMNAMEN1KMT2ALDHA
SCHEMBL2494857 0.75 PPARG (0.51) SMN1; SMN2LMNAPPARGPTGESALOX5
SCHEMBL10305254 0.75 PTGS2 (0.43) LMNAMEN1KMT2AKDM4EPPARG
SCHEMBL1566439 0.74 LDHA (0.55) SMN1; SMN2MEN1KMT2ALDHAKDM4E
SCHEMBL2495693 0.73 PPARG (0.52) MEN1KMT2APPARG
SCHEMBL1565656 0.73 LDHA (0.54) SMN1; SMN2LMNALDHAKDM4EPPARG

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 10 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
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
EP-1751127-A2 NOVEL CYLOPENTA¬B|BENZOFURAN DERIVATIVES AND THE UTILIZATION THEREOF Bayer HealthCare AG (DE) 2007-02-14 — — EP disclosed
WO-2005113529-A2 NOVEL CYLOPENTA[B]BENZOFURAN DERIVATIVES AND THE UTILIZATION THEREOF BAYER HEALTHCARE AG (DE) 2005-12-01 — — 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-20090018113-A1 Novel Cylopenta[B]Benzofuran Derivatives and the Utilization Thereof FKBP1A, FKBP2, FKBP1B SMN1; SMN2 4246/4885LMNA 1774/4885MEN1 4036/4885

“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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