SCHEMBL18253129

SCHEMBL18253129

COC(=O)C1=C(C)N(C)C(C)=C(COC=O)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
ADORA3 P0DMS8 3/20 0.53
OPRM1 P35372 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ABCC4 O15439 2/20 0.53
CACNA1F O60840 2/20 0.53
ABCB11 O95342 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.53
ADORA2A P29274 2/20 0.53
ADORA1 P30542 2/20 0.53
SCN1A P35498 2/20 0.53
HTR2B P41595 2/20 0.53
CACNA1D Q01668 2/20 0.53
KCNH2 Q12809 2/20 0.53
CACNA1S Q13698 2/20 0.53
CACNA1C Q13936 2/20 0.53
SCN5A Q14524 2/20 0.53

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
SCHEMBL1672208 0.85 TSHR (0.70) TSHRMAPTKDM4EADORA3OPRM1
SCHEMBL16186990 0.83 GAA (0.53) TSHRKDM4EADORA3OPRM1HSD17B10
SCHEMBL13819620 0.83 ADORA3 (0.72) TSHRMAPTKDM4EADORA3OPRM1
SCHEMBL16186977 0.81 GAA (0.50) TSHRMAPTKDM4EADORA3HSD17B10
SCHEMBL11683170 0.81 TSHR (0.65) TSHRMAPTKDM4EADORA3OPRM1
SCHEMBL16186978 0.81 GAA (0.54) TSHRKDM4EADORA3HSD17B10LMNA
SCHEMBL16186981 0.80 MAPT (0.54) TSHRMAPTADORA3CACNA1FLMNA
SCHEMBL11742384 0.80 ADORA3 (0.57) TSHRMAPTKDM4EADORA3OPRM1
SCHEMBL11810522 0.78 TSHR (0.61) TSHRMAPTKDM4EADORA3OPRM1
SCHEMBL10733629 0.78 CACNA1F (0.76) TSHRMAPTKDM4EADORA3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 TSHR 602/4885MAPT 3913/4885KDM4E 3364/4885

“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.