SCHEMBL12545554

SCHEMBL12545554

C=Cc1ccc(CN(CC(=O)O)Cc2ccc(C=C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 5/20 0.42
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 2/20 0.36
PSMD14 O00487 1/20 0.36
TSHR P16473 2/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
AGTR2 P50052 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
ALOX15 P16050 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL515232 0.98 ALDH1A1 (0.41) MEP1BALDH1A1TDP1LMNAPSMD14
SCHEMBL5322399 0.92 TDP1 (0.45) TDP1LMNATSHREYA2APP
SCHEMBL17354914 0.89 PSMD14 (0.35) MEP1BALDH1A1TDP1LMNAPSMD14
SCHEMBL9405391 0.89 CA1 (0.38) MEP1BALDH1A1TDP1LMNAPSMD14
SCHEMBL14341631 0.86 NR1D1 (0.40) MEP1BHDAC6HDAC3CA1CA2
SCHEMBL13958014 0.83 LTA4H (0.44) TDP1AGTR2HDAC6HDAC3KDM4E
SCHEMBL18460451 0.83 KCNH2 (0.44) TDP1LMNATSHREYA2APP
SCHEMBL13958499 0.82 TDP1 (0.40) MEP1BALDH1A1TDP1KDM4ECA1
SCHEMBL18493213 0.80 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHDAC6HDAC3
SCHEMBL13958502 0.79 NR3C1 (0.43) ALDH1A1TDP1LMNAPSMD14TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203487-B1 METHOD FOR PREPARING POLYMER MATERIALS DOPED WITH METAL ELEMENTS AND RESULTING MATERIALS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-06-11 EP disclosed
US-8637620-B2 Method for preparing polymer materials doped with metal elements and resulting materials COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-01-28 US disclosed
US-20110137000-A1 METHOD FOR PREPARING POLYMER MATERIALS DOPED WITH METAL ELEMENTS AND RESULTING MATERIALS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-06-09 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-20110137000-A1 METHOD FOR PREPARING POLYMER MATERIALS DOPED WITH METAL ELEMENTS AND RESULTING MATERIALS EPM2A, ELP1, EMD MEP1B 19/4885ALDH1A1 2901/4885TDP1 857/4885

“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.