SCHEMBL5881508

SCHEMBL5881508

COc1ccc([I+]c2ccc(OC)c(C(C)C)c2)cc1C(C)C.COc1ccc([I+]c2ccc(OC)c(C(C)C)c2)cc1C(C)C.COc1ccc([I+]c2ccc(OC)c(C(C)C)c2)cc1C(C)C.COc1ccc([I+]c2ccc(OC)c(C(C)C)c2)cc1C(C)C.COc1ccc([I+]c2ccc(OC)c(C(C)C)c2)cc1C(C)C.COc1ccc([I+]c2ccc(OC)c(C(C)C)c2)cc1C(C)C.COc1ccc([I+]c2ccc(OC)c(C(C)C)c2)cc1C(C)C.COc1ccc([I+]c2ccc(OC)c(C(C)C)c2)cc1C(C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ ADRA2A P08913 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ LPAR1 Q92633 7/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL2045622 0.90 ALDH1A1 (0.42) ALDH1A1TSHRMAPTPOLBGAA
SCHEMBL282523 0.87 ALDH1A1 (0.38) ALDH1A1TSHRMAPTPOLBGAA
SCHEMBL6545793 0.87 ALDH1A1 (0.38) ALDH1A1TSHRMAPTPOLBGAA
SCHEMBL8119851 0.70 NFE2L2 (0.43) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL13395132 0.68 CYP2D6 (0.42) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL6545093 0.67 CA1 (0.48) ALDH1A1MAPTGAATHRBCA1
SCHEMBL739698 0.67 HDAC4 (0.48) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL487152 0.67 CYP2D6 (0.67) ALDH1A1MAPTGAATHRBRORC
SCHEMBL29591727 0.67 ACHE (0.58) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL10238859 0.67 ACHE (0.58) ALDH1A1TSHRPOLBGAAGFER

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-7015246-B2 Benzofuran derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-03-21 — — US disclosed
US-20040220415-A1 Benzofuran derivatives BAYER AKTIENGESELLSCHAFT (DE) 2004-11-04 — — US disclosed
EP-1373239-A1 BENZOFURAN DERIVATIVES Bayer HealthCare AG (DE) 2004-01-02 — — EP disclosed
WO-2002079181-A1 BENZOFURAN DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 — — 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-20040220415-A1 Benzofuran derivatives BPTF, ABCG2, ABCB1 ALDH1A1 485/4885TSHR 4652/4885MAPT 2337/4885

“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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