SCHEMBL2494860

SCHEMBL2494860

CCOc1cc(OCC)cc(OC(C)(C(=O)O)c2ccc(Br)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ MAOB P27338 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PPARA Q07869 3/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ AKR1C2 P52895 2/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL2493588 0.85 PPARA (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2494539 0.85 PPARA (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2499574 0.77 PPARA (0.44) MAOBKDM4EALDH1A1MAPTMEN1
SCHEMBL1678855 0.77 NPC1 (0.41) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11394121 0.76 PPARA (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2496641 0.73 PPARA (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11601984 0.72 PPARA (0.54) ALDH1A1MAPTMEN1KMT2APPARA
SCHEMBL11600978 0.72 PPARA (0.61) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL11602402 0.72 PPARG (0.57) MAOBPPARAPPARGPPARDRXRA
SCHEMBL11785065 0.69 CYP3A4 (0.40) KDM4EALDH1A1MAPTMEN1GAA

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 TP53 1669/4885PTGS2 183/4885MAOB 838/4885

“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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