SCHEMBL4891780

SCHEMBL4891780

CC(C)(Br)C(=O)O.O=C1CCC(=O)N1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 1/20 0.33
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 5/20 0.32
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
PKM P14618 1/20 0.30
LOX P28300 1/20 0.30
ATM Q13315 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
Pivalate SCHEMBL10534446 0.86 POLB (0.34) KDM4EGRNSORT1CA12CA1
Acetic Acid SCHEMBL482738 0.79 FFAR3 (0.39) CA12CA1CA9POLBALDH1A1
Acetic Acid SCHEMBL21834859 0.79 FFAR3 (0.39) CA12CA1CA9POLBALDH1A1
Bicarbonate SCHEMBL6150295 0.78 CA1 (0.38) KDM4ECA12CA1CA9SMN1; SMN2
Bicarbonate SCHEMBL14917 0.78 CA1 (0.38) KDM4ECA12CA1CA9SMN1; SMN2
Trifluoroacetic Acid SCHEMBL504170 0.77 CA12 (0.32) CA12CA1CA9ALDH1A1PKM
SCHEMBL28011755 0.77 GLA (0.34) CA12CA1CA9GLAATM
Oxalic Acid SCHEMBL9728851 0.76 CA12 (0.37) KDM4ECA12CA1CA9SMN1; SMN2
Methyl Alcohol SCHEMBL28183931 0.75 BRD4 (0.33) KDM4ECA12CA1CA9POLB
SCHEMBL785147 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112618803-A Preparation method of temperature response type bionic nanocone dual-functional antibacterial surface 大连理工大学 2021-04-09 CN claimed
CN-112618803-A Preparation method of temperature response type bionic nanocone dual-functional antibacterial surface 大连理工大学 2021-04-09 CN disclosed
US-9200104-B2 Polymer WARWICK EFFECT POLYMERS LIMITED (GB) 2015-12-01 US disclosed
US-20130295040-A1 POLYMER WARWICK EFFECT POLYMERS LTD (US) 2013-11-07 US disclosed
US-8436104-B2 Polymer WARWICK EFFECT POLYMERS LIMITED (GB) 2013-05-07 US disclosed
US-20080300348-A1 Polymer WARWICK EFFECT POLYMERS LIMITED 2008-12-04 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 (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-20130295040-A1 POLYMER PCNA, PARG, COASY KDM4E 3702/4885GRN 1667/4885SORT1 1377/4885

“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.