SCHEMBL17035904

SCHEMBL17035904

Cn1cc(C(C)(F)F)c(=O)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.38
TSHR P16473 4/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1270636 0.86 ATM (0.39) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL17035909 0.86 ATM (0.39) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL12766925 0.83 LMNA (0.40) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL9618709 0.79 ATM (0.36) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL30668132 0.78 ATM (0.35) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL9465457 0.72 ATM (0.34) ATMLMNAALDH1A1
SCHEMBL3189250 0.70 TSHR (0.44) ATMLMNATSHRHTTSMN1; SMN2
Potassium Ion SCHEMBL31354832 0.68 ATM (0.35) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL12775686 0.67 KMT2A (0.39) ATMLMNATSHRHTTSMN1; SMN2
SCHEMBL3806350 0.66 ERN1 (0.42) LMNATSHRHTTSMN1; SMN2HSD17B10

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-20150239796-A1 ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE UNIVERSITY OF OSLO (NO) 2015-08-27 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-20150239796-A1 ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE FLI1, AFF1, CYP2F1 ATM 2241/4885LMNA 4820/4885TSHR 454/4885

“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.