SCHEMBL12977550

SCHEMBL12977550

COc1cc(CN(Cc2nccn2CC(OC)OC)Cc2nccn2CC(OC)OC)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ AOC3 Q16853 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
SCHEMBL12977563 0.91 PTGS2 (0.37) PTGS2TP53KDM4EALDH1A1TDP1
SCHEMBL13806285 0.88 KDM4E (0.32) KDM4EALDH1A1TDP1POLBTHRB
SCHEMBL13382183 0.79 MEN1 (0.33) ALDH1A1
SCHEMBL16213757 0.76 RAB9A (0.39) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL13377490 0.72 HPGD (0.32) —
SCHEMBL12977543 0.68 ADRA2C (0.37) KDM4EALDH1A1TDP1
SCHEMBL13002584 0.68 HTT (0.39) ALDH1A1MAPTHTR2AHTR2CHTR2B
SCHEMBL15834887 0.66 HPGD (0.37) KDM4EALDH1A1TDP1POLBMAPT
SCHEMBL15501032 0.66 ARG1 (0.33) —
SCHEMBL1046977 0.64 HPGD (0.51) KDM4EALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100303725-A1 Technetium- and Rhenium-Bis(heteroaryl) Complexes, and Methods of Use Thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-12-02 — — US disclosed
US-20100303725-A1 Technetium- and Rhenium-Bis(heteroaryl) Complexes, and Methods of Use Thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-12-02 — — US disclosed
US-7824661-B2 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-11-02 — — US disclosed
US-7824661-B2 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-11-02 — — US disclosed
US-20090148382-A1 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-06-11 — — US disclosed
US-20080025915-A1 Technetium-And Rhenium-Bis (Heteroaryl) Complexes, And Methods Of Use Thereof CITIZENS BANK, N.A. 2008-01-31 — — 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 (3 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-20100303725-A1 Technetium- and Rhenium-Bis(heteroaryl) Complexes, and Methods of Use Thereof SLC7A5, RAB35, AADAT PTGS2 4645/4885TP53 737/4885KDM4E 1882/4885
US-20090148382-A1 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof QPCT, SLC7A5, RAB35 PTGS2 4505/4885TP53 221/4885KDM4E 2670/4885
US-20080025915-A1 Technetium-And Rhenium-Bis (Heteroaryl) Complexes, And Methods Of Use Thereof SLC7A5, RAB35, AADAT PTGS2 4645/4885TP53 737/4885KDM4E 1882/4885

“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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