SCHEMBL6847966

SCHEMBL6847966

COc1ccc(OP(=O)(Oc2ccc(OC)cc2C(C)(C)C)Oc2ccc(OC)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LPAR1 Q92633 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RARA P10276 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ MAPT P10636 2/20 0.38

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
SCHEMBL25933559 0.82 CYP3A4 (0.42) ALDH1A1GAANPSR1L3MBTL1CYP3A4
SCHEMBL799846 0.81 ALDH1A1 (0.70) ALDH1A1GAACA1CA2CA12
SCHEMBL16859696 0.80 CYP3A4 (0.43) ALDH1A1GAACA1CA2CA9
SCHEMBL28499495 0.80 ALDH1A1 (0.58) ALDH1A1GAACA1CA2CA12
SCHEMBL2281412 0.79 ALDH1A1 (0.43) ALDH1A1GAACA1CA2CA12
SCHEMBL1487458 0.79 CYP3A4 (0.44) ALDH1A1GAACA1CA2CA9
SCHEMBL29355190 0.79 CA1 (0.42) ALDH1A1CA1CA2CA9NPSR1
SCHEMBL82774 0.79 CA1 (0.42) ALDH1A1CA1CA2CA9NPSR1
SCHEMBL1725843 0.78 ALDH1A1 (0.57) ALDH1A1GAACA1CA2CA12
SCHEMBL25307457 0.76 ALDH1A1 (0.55) ALDH1A1GAACA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040236133-A1 Novel phosphite compounds and novel phosphite metal complexes EVONIK OXENO GMBH (DE) 2004-11-25 — — 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-20040236133-A1 Novel phosphite compounds and novel phosphite metal complexes PHOSPHO1, POF1B, PPA1 ALDH1A1 2998/4885GAA 3161/4885CA1 285/4885

“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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