SCHEMBL20129539

SCHEMBL20129539

COc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NR1I2 O75469 4/20 0.35
APEX1 P27695 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL18191801 0.88 MAPT (0.33) CA1CA2ALDH1A1APEX1MAPT
SCHEMBL17277942 0.87 APEX1 (0.34) CA1CA2ALDH1A1GAANR1I2
SCHEMBL26607 0.81 CA1 (0.41) CA1CA2ALDH1A1GAAAPEX1
SCHEMBL29349873 0.81 CA1 (0.41) CA1CA2ALDH1A1GAAAPEX1
SCHEMBL18828155 0.81 CA1 (0.36) CA1CA2ALDH1A1GAAL3MBTL1
SCHEMBL30252476 0.81 CA1 (0.36) CA1CA2ALDH1A1GAAL3MBTL1
SCHEMBL31720630 0.80 CA1 (0.40) CA1CA2ALDH1A1GAAAPEX1
SCHEMBL19514039 0.80 CA1 (0.40) CA1CA2ALDH1A1GAAAPEX1
Potassium SCHEMBL31621706 0.80 CA1 (0.40) CA1CA2ALDH1A1GAAAPEX1
Phosphine SCHEMBL7943984 0.80 CA1 (0.40) CA1CA2ALDH1A1GAAAPEX1

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-20180127444-A1 BISPHOSPHITES HAVING 2,4-TERT-BUTYLPHENYL UNITS AND USE THEREOF AS LIGANDS IN HYDROFORMYLATION EVONIK DEGUSSA GMBH (DE) 2018-05-10 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-20180127444-A1 BISPHOSPHITES HAVING 2,4-TERT-BUTYLPHENYL UNITS AND USE THEREOF AS LIGANDS IN HYDROFORMYLATION BPGM, NUDT1, PHPT1 CA1 1923/4885CA2 689/4885ALDH1A1 1713/4885

“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.