SCHEMBL4471133

SCHEMBL4471133

CC(C)Cc1cc(CC(C)C)c(NC2CCCCC2)cc1NC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
AOC1 P19801 3/20 0.37
AOC3 Q16853 3/20 0.37
HDAC8 Q9BY41 1/20 0.36
ALOX15 P16050 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
LMNA P02545 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NUDT1 P36639 1/20 0.34

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
SCHEMBL13801822 0.91 HDAC8 (0.42) KDM4EMAPTGAAAOC1AOC3
SCHEMBL4482706 0.83 ALOX15 (0.32) KDM4EMAPTGAAAOC1AOC3
SCHEMBL13801609 0.83 PTGS1 (0.42) KDM4EMAPTGAAAOC1AOC3
SCHEMBL19118720 0.81 HDAC8 (0.36) MAPTHDAC8ALOX15ALDH1A1LMNA
SCHEMBL2973035 0.75 ALOX15 (0.40) KDM4EMAPTGAAAOC1AOC3
SCHEMBL13801653 0.75 PDE4A (0.41) KDM4EMAPTGAAALOX15
SCHEMBL26300888 0.74 PABPC1 (0.42) HDAC8ALOX15KMT2APABPC1IDO1
SCHEMBL19142662 0.71 PTGS1 (0.40) KDM4EMAPTGAAAOC1AOC3
SCHEMBL13801608 0.70 KDM4E (0.47) KDM4EMAPTGAAALOX15IDO1
SCHEMBL13758016 0.69 ROCK2 (0.46) KDM4EMAPTGAAMEN1KMT2A

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-20090156441-A1 Cycloalkyl phenylenediamines as deposit control agents for lubricants GREAT LAKES CHEMICAL GLOBAL, INC. 2009-06-18 US claimed
EP-2245123-B1 METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS CHEMTURA CORP (US) 2017-07-19 EP disclosed
US-8563489-B2 Alkylated 1,3-benzenediamine compounds and methods for producing same CHEMTURA CORPORATION (US) 2013-10-22 US disclosed
US-8563489-B2 Alkylated 1,3-benzenediamine compounds and methods for producing same CHEMTURA CORPORATION (US) 2013-10-22 US disclosed
US-20090156441-A1 Cycloalkyl phenylenediamines as deposit control agents for lubricants GREAT LAKES CHEMICAL GLOBAL, INC. 2009-06-18 US disclosed
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME LANXESS SOLUTIONS US INC. 2009-06-18 US disclosed
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME LANXESS SOLUTIONS US INC. 2009-06-18 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-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME BBOX1, ABHD5, BRD1 KDM4E 2055/4885MAPT 3274/4885GAA 2469/4885
US-20090156441-A1 Cycloalkyl phenylenediamines as deposit control agents for lubricants C5, C9, C1S KDM4E 4043/4885MAPT 2214/4885GAA 3581/4885

“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.