SCHEMBL9913725

SCHEMBL9913725

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
KMT2A Q03164 1/20 0.43
ACHE P22303 12/20 0.43
SLC29A1 Q99808 1/20 0.41
HCAR2 Q8TDS4 2/20 0.41
ATM Q13315 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL9913717 0.92 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4KMT2A
SCHEMBL14725042 0.85 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4KMT2A
SCHEMBL5366005 0.81 TSHR (0.70) TSHRHPGDALDH1A1CYP3A4ACHE
SCHEMBL11519959 0.79 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4ACHE
SCHEMBL16669730 0.78 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL7647533 0.78 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL811560 0.78 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL22607678 0.78 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL21218910 0.78 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL14967 0.78 TSHR (0.84) TSHRHPGDALDH1A1CYP3A4HCAR2

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 1312/4885HPGD 923/4885ALDH1A1 2006/4885

“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.