SCHEMBL2493588

SCHEMBL2493588

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PPARG P37231 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ GLA P06280 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
SCHEMBL2494539 0.87 PPARA (0.40) PPARAPPARDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2494860 0.85 TP53 (0.41) PPARAPPARDKDM4EALDH1A1MEN1
SCHEMBL2496641 0.75 PPARA (0.43) PPARAPPARDKDM4EALDH1A1SMN1; SMN2
SCHEMBL11596999 0.74 SMN1; SMN2 (0.57) PPARAKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL11394121 0.73 PPARA (0.58) PPARAPPARDKDM4EALDH1A1LMNA
SCHEMBL11595598 0.71 PPARA (0.55) PPARAPPARDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2495700 0.70 SMN1; SMN2 (0.40) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11601984 0.70 PPARA (0.54) PPARAPPARDALDH1A1LMNASMN1; SMN2
SCHEMBL11600978 0.70 PPARA (0.61) PPARAPPARDKDM4EALDH1A1LMNA
SCHEMBL11602402 0.69 PPARG (0.57) PPARAPPARDPPARGNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PPARA 1130/4885PPARD 1639/4885KDM4E 2325/4885

“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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