SCHEMBL9913744

SCHEMBL9913744

C=C(C)C(=O)OCCCCCNc1nc(NCCCC)nc(NCCCC)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
KMT2A Q03164 1/20 0.43
ACHE P22303 12/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC29A1 Q99808 1/20 0.41
THRB P10828 1/20 0.41
KCNH3 Q9ULD8 1/20 0.38

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
SCHEMBL9913752 0.92 TSHR (0.53) TSHRKMT2AACHEPOLBAPEX1
SCHEMBL23530416 0.82 TSHR (0.74) TSHRACHEPOLBAPEX1HTT
SCHEMBL23530352 0.82 TSHR (0.74) TSHRACHEPOLBAPEX1HTT
SCHEMBL23530355 0.81 TSHR (0.71) TSHRACHEPOLBAPEX1HTT
SCHEMBL22579031 0.78 TSHR (1.00) TSHRACHEPOLBAPEX1HTT
SCHEMBL21853806 0.78 TSHR (1.00) TSHRACHEPOLBAPEX1HTT
SCHEMBL25293880 0.78 TSHR (1.00) TSHRACHEPOLBAPEX1HTT
SCHEMBL1977194 0.78 TSHR (1.00) TSHRACHEPOLBAPEX1HTT
SCHEMBL21853811 0.78 TSHR (1.00) TSHRACHEPOLBAPEX1HTT
SCHEMBL6655183 0.78 TSHR (1.00) TSHRACHEPOLBAPEX1HTT

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
EP-2562864-B1 Proton-conducting polymer NIPPON STEEL & SUMIKIN CHEM CO (JP) 2014-08-27 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 1312/4885KMT2A 799/4885ACHE 4214/4885

“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.