SCHEMBL4438136

SCHEMBL4438136

C=COB(Oc1ccccc1O)Oc1ccc2ccc3c(OB(OC=C)Oc4ccccc4O)ccc4ccc1c2c43

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
JAK2 O60674 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL28864172 0.72 ALDH1A1 (0.40) HPGDGAA
SCHEMBL31457104 0.69 CA2 (0.54) CA1CA2TP53TSHRHPGD
SCHEMBL1276184 0.69 CA2 (0.54) CA1CA2TP53TSHRHPGD
SCHEMBL30496687 0.65 ALDH1A1 (0.44) TSHRHPGDMAPT
SCHEMBL912417 0.65 ALDH1A1 (0.44) TSHRHPGDMAPT
Fluoride SCHEMBL27490122 0.64 ALDH1A1 (0.42) TSHRHPGDMAPT
SCHEMBL862053 0.63 CA2 (0.52) CA1CA2TP53TSHRHPGD
SCHEMBL29790333 0.63 CA2 (0.52) CA1CA2TP53TSHRHPGD
SCHEMBL403639 0.63 CA2 (0.43) CA1CA2TP53TSHRHPGD
SCHEMBL20590990 0.63 CA2 (0.58) CA1CA2TP53TSHRHPGD

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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP CA1 3980/4885CA2 4583/4885TP53 244/4885

“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.