SCHEMBL17816148

SCHEMBL17816148

O=C1c2ccccc2C(=O)N1C([18F])Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 4/20 0.60
GAA P10253 1/20 0.60
POLB P06746 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
CASP3 P42574 2/20 0.47
AADAT Q8N5Z0 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
HSD11B1 P28845 1/20 0.45

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
SCHEMBL17151025 1.00 TDP1 (0.64) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL15438148 0.82 TDP1 (0.44) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL1239675 0.80 TDP1 (0.62) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL1239670 0.80 TDP1 (0.62) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL14473755 0.78 TDP1 (1.00) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL8382347 0.76 TDP1 (0.62) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL8382349 0.76 TDP1 (0.62) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL9631231 0.76 ALDH1A1 (0.44) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7284629 0.75 ALDH1A1 (0.61) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7829080 0.75 ALDH1A1 (0.61) TDP1ALDH1A1GAAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-02-08 US disclosed
US-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-06-09 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 (2 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-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 TDP1 3753/4885ALDH1A1 2126/4885GAA 344/4885
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 TDP1 3753/4885ALDH1A1 2126/4885GAA 344/4885

“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.