SCHEMBL11961981

SCHEMBL11961981

CCOC(=O)C(C)(C)CCc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MEN1 O00255 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
MMP8 P22894 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL31001663 0.92 CYP4F2 (0.51) CYP1A2ALDH1A1CYP4F2CYP4A11KMT2A
SCHEMBL589181 0.89 SMN1; SMN2 (0.49) SMN1; SMN2LMNANPSR1CYP1A2ALDH1A1
SCHEMBL591080 0.85 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1CYP1A2ALDH1A1
SCHEMBL15419571 0.84 MMP8 (0.54) SMN1; SMN2ALDH1A1CYP4F2CYP4A11MAPT
SCHEMBL17451869 0.84 POLB (0.44) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL5710 0.82 SLC6A2 (0.49)
SCHEMBL5979 0.82 SLC6A2 (0.49)
SCHEMBL10487 0.82 SLC6A2 (0.49)
SCHEMBL22922179 0.82 CYP4F2 (0.57) CYP1A2ALDH1A1CYP4F2CYP4A11KMT2A
SCHEMBL22922062 0.81 CYP4F2 (0.60) CYP1A2ALDH1A1CYP4F2CYP4A11MMP8

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
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 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 (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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT SMN1; SMN2 4705/4885LMNA 143/4885NPSR1 3524/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A SMN1; SMN2 4721/4885LMNA 469/4885NPSR1 4333/4885

“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.