SCHEMBL18589182

SCHEMBL18589182

CCC1(Cn2ccnc2[N+](=O)[O-])COC(C)(C)OC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.42
▸ CA1 P00915 5/20 0.42
▸ CA2 P00918 5/20 0.42
▸ CA9 Q16790 5/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ TYMP P19971 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ NOS1 P29475 1/20 0.33
▸ KCNA4 P22459 1/20 0.33
▸ KCNA1 Q09470 1/20 0.33
▸ KCNAB1 Q14722 1/20 0.33

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
SCHEMBL26657808 0.89 CA12 (0.41) CA12CA1CA2CA9KMT2A
SCHEMBL14822595 0.89 LMNA (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL14822583 0.89 CA12 (0.41) CA12CA1CA2CA9KMT2A
SCHEMBL18577912 0.85 CA12 (0.39) CA12CA1CA2CA9KMT2A
SCHEMBL18823118 0.85 CA12 (0.47) CA12CA1CA2CA9KMT2A
SCHEMBL29705195 0.83 CA12 (0.37) CA12CA1CA2CA9KMT2A
SCHEMBL15899409 0.82 CA12 (0.37) CA12CA1CA2CA9KMT2A
SCHEMBL14822596 0.81 CA12 (0.44) CA12CA1CA2CA9KMT2A
SCHEMBL15899355 0.81 CA12 (0.44) CA12CA1CA2CA9KMT2A
SCHEMBL16285938 0.79 CA12 (0.41) CA12CA1CA2CA9KMT2A

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-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-09 — — 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-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME AFF1, NPFFR1, AFF2 CA12 535/4885CA1 3259/4885CA2 3956/4885

“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.

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