SCHEMBL684333

SCHEMBL684333

CCCCC1=C(Br)/C(=C/NCc2ccccc2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
EPHX2 P34913 3/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
FAAH O00519 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
SCHEMBL684331 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHTTCDC25A
SCHEMBL6137421 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHTTCDC25A
SCHEMBL6137423 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHTTCDC25A
SCHEMBL6330349 0.78 CDC25A (0.41) ALDH1A1SMN1; SMN2LMNAHTTCDC25A
SCHEMBL6330352 0.78 CDC25A (0.41) ALDH1A1SMN1; SMN2LMNAHTTCDC25A
Fimbrolide SCHEMBL13668734 0.73 CDC25A (0.38) CDC25ACDC25BCDC25C
SCHEMBL20013939 0.71 CDC25A (0.33) CDC25ACDC25BCDC25C
SCHEMBL6331065 0.68 CDC25A (0.46) ALDH1A1CDC25ACDC25BCDC25C
SCHEMBL6331066 0.68 CDC25A (0.46) ALDH1A1CDC25ACDC25BCDC25C
SCHEMBL13372032 0.67 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHTTCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177226-B1 Hydroxamate compositions COVIDIEN LP (US) 2013-09-18 EP disclosed
US-8425972-B2 Antimicrobial materials and coatings COVIDIEN LP (US) 2013-04-23 US disclosed
US-8425972-B2 Antimicrobial materials and coatings COVIDIEN LP (US) 2013-04-23 US disclosed
EP-2564859-A1 Hydroxamate compositions Covidien LP (US) 2013-03-06 EP disclosed
US-8153741-B2 Furanone copolymers TYCO HEALTHCARE GROUP LP (US) 2012-04-10 US disclosed
US-8153741-B2 Furanone copolymers TYCO HEALTHCARE GROUP LP (US) 2012-04-10 US disclosed
US-20110280824-A1 Furanone Copolymers TYCO HEALTHCARE GROUP LP (US) 2011-11-17 US disclosed
US-20110280824-A1 Furanone Copolymers TYCO HEALTHCARE GROUP LP (US) 2011-11-17 US disclosed
US-7999051-B2 Furanone copolymers TYCO HEALTHCARE GROUP LP (US) 2011-08-16 US disclosed
US-7999051-B2 Furanone copolymers TYCO HEALTHCARE GROUP LP (US) 2011-08-16 US disclosed
US-7923439-B2 Hydroxamate compositions TYCO HEALTHCARE GROUP LP (US) 2011-04-12 US disclosed
US-7923439-B2 Hydroxamate compositions TYCO HEALTHCARE GROUP LP (US) 2011-04-12 US disclosed
US-20100130713-A1 FURANONE COPOLYMERS COVIDIEN LP 2010-05-27 US disclosed
US-20100130713-A1 FURANONE COPOLYMERS COVIDIEN LP 2010-05-27 US disclosed
US-20100119695-A1 ANTIMICROBIAL MATERIALS AND COATINGS COVIDIEN LP 2010-05-13 US disclosed
US-20100119695-A1 ANTIMICROBIAL MATERIALS AND COATINGS COVIDIEN LP 2010-05-13 US disclosed
EP-2177226-A1 Hydroxamate compositions Tyco Healthcare Group LP (US) 2010-04-21 EP disclosed
US-20100093846-A1 HYDROXAMATE COMPOSITIONS TYCO HEALTHCARE GROUP LP 2010-04-15 US disclosed
US-20100093846-A1 HYDROXAMATE COMPOSITIONS TYCO HEALTHCARE GROUP LP 2010-04-15 US disclosed
WO-2008144247-A1 ANTIMICROBIAL MATERIALS AND COATINGS TYCO HEALTHCARE GROUP LP (US) 2008-11-27 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 (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-20110280824-A1 Furanone Copolymers PLA2G5, PLA2G2A, PLA2G10 KMT2A 4450/4885ADH1B 3467/4885ADH1C 3375/4885
US-20100093846-A1 HYDROXAMATE COMPOSITIONS HCAR3, ABHD16A, PLA2G2C KMT2A 2098/4885ADH1B 939/4885ADH1C 2208/4885

“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.