SCHEMBL6490956

SCHEMBL6490956

O=[N+]([O-])c1[c]ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALOX5 P09917 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3278019 0.78 MAPT (0.37) ALDH1A1LMNAMEN1KMT2A
SCHEMBL27727721 0.78 ALDH1A1 (0.37) ALDH1A1LMNAMEN1KMT2A
SCHEMBL27733187 0.78 TLR4 (0.45) ALDH1A1LMNAALOX5MEN1KMT2A
SCHEMBL9650669 0.77
SCHEMBL9650877 0.75 CETP (0.35) MEN1KMT2A
SCHEMBL29192714 0.73 MAOB (0.49) ALOX5MEN1KMT2A
SCHEMBL445246 0.73 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL7115834 0.72 ALOX5 (0.51) ALDH1A1ALOX5MEN1KMT2A
SCHEMBL9650828 0.72 MEN1 (0.38) ALDH1A1LMNAMEN1KMT2A
SCHEMBL3296222 0.69 CRHBP (0.49) ALDH1A1LMNAALOX5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908996-B2 Compounds and method for preparing 3-methylcephams IMPERIAL COLLEGE OF LONDON (GB) 2005-06-21 US disclosed
US-20040106790-A1 Novel compounds and method for preparing 3-methylcephams COOPER CONSULTING 2004-06-03 US disclosed
US-6683176-B2 FOR USE IN PRODUCING AMINO ACID DERIVATIVE ANTIBIOTICS COOPER CONSULTING 2004-01-27 US disclosed
EP-1183262-A4 INTERMEDIATES FOR AND SYNTHESIS OF 3-METHYLENE CEPHAMS COOPER CONSULTING INC (US) 2003-04-09 EP disclosed
US-20030036650-A1 Intermediates for and synthesis of 3-methylene cephams IMPERIAL COLLEGE OF LONDON (GB) 2003-02-20 US disclosed
EP-1183262-A1 INTERMEDIATES FOR AND SYNTHESIS OF 3-METHYLENE CEPHAMS Cooper Consulting Inc. (US) 2002-03-06 EP disclosed
WO-2001060828-A1 INTERMEDIATES FOR AND SYNTHESIS OF 3-METHYLENE CEPHAMS COOPER CONSULTING INC. (US) 2001-08-23 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 (2 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-20030036650-A1 Intermediates for and synthesis of 3-methylene cephams LSS, DHPS, COASY ALDH1A1 1396/4885LMNA 1384/4885ALOX5 1020/4885
US-20040106790-A1 Novel compounds and method for preparing 3-methylcephams DHPS, FDPS, COASY ALDH1A1 2083/4885LMNA 2777/4885ALOX5 1673/4885

“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.