SCHEMBL9913752

SCHEMBL9913752

C=C(C)C(=O)OCCNc1nc(NCCCC)nc(NCCCC)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
SLC29A1 Q99808 1/20 0.43
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
GBA1 P04062 1/20 0.37
ACHE P22303 4/20 0.37
ALDH1A1 P00352 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK8 P45983 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL9913744 0.92 TSHR (0.62) TSHRSLC29A1THRBKMT2AACHE
SCHEMBL11295972 0.81 THRB (0.40) TSHRTHRBL3MBTL1CA1CA2
SCHEMBL9683157 0.81 THRB (0.40) TSHRTHRBKMT2ACA1CA2
SCHEMBL9913717 0.79 TSHR (0.56) TSHRSLC29A1THRBKMT2AL3MBTL1
SCHEMBL331327 0.78 TSHR (0.62) TSHRTHRBACHEALDH1A1POLB
SCHEMBL28667907 0.77 ALDH1A1 (0.47) TSHRTHRBKMT2AALDH1A1POLB
SCHEMBL10030480 0.77 KCNH3 (0.60) KCNH3
SCHEMBL12168928 0.75 TSHR (0.59) TSHRTHRBACHE
SCHEMBL3281164 0.74 TSHR (0.68) TSHRTHRBACHEALDH1A1POLB
SCHEMBL27680605 0.74 TSHR (0.62) TSHRTHRBACHEALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562864-B1 Proton-conducting polymer NIPPON STEEL & SUMIKIN CHEM CO (JP) 2014-08-27 EP disclosed
EP-2562864-A1 Proton-conducting polymer Nippon Steel Chemical Co., Ltd. (JP) 2013-02-27 EP disclosed
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 US disclosed
EP-2078715-A1 PROTON CONDUCTING COMPOUND AND PROTON CONDUCTING POLYMER Nippon Steel Chemical Co., Ltd. (JP) 2009-07-15 EP 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-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER HRH3, H1-3, H1-4 TSHR 1312/4885SLC29A1 535/4885THRB 3003/4885

“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.