SCHEMBL6645891

SCHEMBL6645891

COC(=O)c1cc(F)c(F)c(OCC(=O)OC(C)(C)C)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ATR Q13535 1/20 0.34
▸ SOS1 Q07889 1/20 0.33
▸ ACLY P53396 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
SCHEMBL6642984 0.82 TSHR (0.44) KDM4EALDH1A1MAPTHTTCASP3
SCHEMBL6646364 0.79 KDM4E (0.39) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL24745340 0.78 ALOX5AP (0.36) KDM4EALDH1A1MTNR1AMTNR1BALOX5AP
SCHEMBL24745568 0.78 HPGD (0.39) KDM4EALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL30121844 0.78 ALOX5AP (0.36) KDM4EALDH1A1MTNR1AMTNR1BALOX5AP
SCHEMBL24745343 0.75 ALOX5AP (0.34) MTNR1AMTNR1BALOX5APFEN1PSEN1
SCHEMBL24745569 0.75 MTNR1A (0.42) KDM4EALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL2831221 0.75 KDM4E (0.45) KDM4EALDH1A1GAASOS1TDP1
SCHEMBL20510109 0.74 FFAR4 (0.52) ALDH1A1MAPTMTNR1AMTNR1BPSEN1
SCHEMBL29346885 0.74 MRGPRX4 (0.42) ALDH1A1MAPTHTTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 — — EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 — — US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 — — WO 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 KDM4E 1886/4885ALDH1A1 781/4885MAPT 4486/4885

“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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