SCHEMBL6661292

SCHEMBL6661292

NCC(=O)OCCCNc1ccc(O)c2c1C(=O)c1c(OC(=O)C(F)(F)F)cccc1C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
ELANE P08246 3/20 0.39
EGFR P00533 3/20 0.39
PIM1 P11309 2/20 0.39
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
BLM P54132 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 4/20 0.36
MAPK1 P28482 4/20 0.36
NSD2 O96028 3/20 0.36
RECQL P46063 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
USP2 O75604 2/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.36
MTOR P42345 2/20 0.36
HIF1A Q16665 2/20 0.36

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
SCHEMBL6661299 0.93 CYP19A1 (0.37) CYP19A1ELANEEGFRPIM1MEN1
Trifluoroacetic Acid SCHEMBL6661290 0.87 CYP19A1 (0.45) CYP19A1EGFRPIM1MEN1KMT2A
SCHEMBL6663922 0.87 MEN1 (0.43) CYP19A1ELANEEGFRMEN1KMT2A
SCHEMBL6663778 0.86 ELANE (0.39) CYP19A1ELANEEGFRPIM1MEN1
Trifluoroacetic Acid SCHEMBL6663919 0.84 MEN1 (0.46) CYP19A1EGFRPIM1MEN1KMT2A
SCHEMBL6663782 0.79 ELANE (0.35) CYP19A1ELANEEGFRPIM1MEN1
Trifluoroacetic Acid SCHEMBL6665362 0.76 MEN1 (0.50) EGFRMEN1KMT2ABLMSMN1; SMN2
SCHEMBL6666092 0.75 MEN1 (0.42) CYP19A1ELANEEGFRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6662164 0.74 MEN1 (0.48) EGFRMEN1KMT2ABLMSMN1; SMN2
SCHEMBL6666900 0.74 NPC1 (0.42) CYP19A1EGFRPIM1MEN1KMT2A

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
EP-1087935-B1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INT LTD (GB) 2004-08-18 EP disclosed
US-20030203975-A1 Anti-cancer agents BTG INTERNATIONAL LIMITED (GB) 2003-10-30 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-20030203975-A1 Anti-cancer agents TOP2B, TOP2A, TOP1 CYP19A1 1005/4885ELANE 2663/4885EGFR 1444/4885

“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.