SCHEMBL23465484

SCHEMBL23465484

CCC(F)(F)C(=O)NCCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA2 P00918 8/20 0.46
CA12 O43570 7/20 0.46
CA9 Q16790 7/20 0.46
CA1 P00915 7/20 0.46
CA14 Q9ULX7 2/20 0.46
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
EPHX1 P07099 2/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 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
SCHEMBL20045685 0.85 CA14 (0.60) TDP1MEN1KMT2AGAAMAOA
SCHEMBL10290024 0.83 CA14 (0.44) TDP1MEN1KMT2AGAAMAOA
SCHEMBL569251 0.82 TDP1 (0.74) TDP1MEN1KMT2AGAAMAOA
SCHEMBL20045686 0.82 TDP1 (0.56) TDP1MEN1KMT2AGAAMAOA
SCHEMBL23465480 0.81 TDP1 (0.64) TDP1MEN1KMT2AGAAMAOA
SCHEMBL20051402 0.81 ALDH1A1 (0.64) TDP1MEN1KMT2AGAAMAOA
SCHEMBL25587283 0.81 TDP1 (0.62) TDP1MEN1KMT2AGAAMAOA
SCHEMBL28431795 0.80 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL20051347 0.79 TDP1 (0.60) TDP1MEN1KMT2AGAAMAOA
SCHEMBL3020258 0.78 TDP1 (0.81) TDP1MEN1KMT2AGAAMAOA

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-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 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-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD TDP1 683/4885MEN1 1180/4885KMT2A 2615/4885

“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.