SCHEMBL6607686

SCHEMBL6607686

CC(C)(C)OC(=O)C1(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
THRB P10828 2/20 0.41
ALDH1A1 P00352 7/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALOX5 P09917 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
NR3C2 P08235 1/20 0.36
PNMT P11086 3/20 0.36
ADRA2A P08913 1/20 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
SCHEMBL6610443 0.83 MAPT (0.37) MAPTTHRBALDH1A1LMNAGAA
SCHEMBL1769439 0.82 ALDH1A1 (0.47) MAPTTHRBALDH1A1LMNAGAA
SCHEMBL31572373 0.81 NPSR1 (0.39) MAPTTHRBALDH1A1LMNAGAA
SCHEMBL6827458 0.80 MAPT (0.47) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL6773375 0.79 NR1H2 (0.40) MAPTPDK2
SCHEMBL29805457 0.78 ATM (0.41) MAPTALDH1A1HTTL3MBTL1HSPB1
SCHEMBL6606358 0.74 ALDH1A1 (0.44) MAPTTHRBALDH1A1LMNAGAA
SCHEMBL3904346 0.74 MEN1 (0.58) MAPTTHRBALDH1A1LMNAL3MBTL1
SCHEMBL3758268 0.73 ALDH1A1 (0.44) MAPTTHRBALDH1A1LMNAGAA
SCHEMBL31560140 0.73 ALDH1A1 (0.44) MAPTTHRBALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 MAPT 3655/4885THRB 1581/4885ALDH1A1 824/4885

“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.