SCHEMBL4482706

SCHEMBL4482706

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
MAPT P10636 2/20 0.31
IDO1 P14902 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PABPC1 P11940 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
AOC1 P19801 2/20 0.30
AOC3 Q16853 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA6 P23280 2/20 0.30
CA7 P43166 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
CISD1 Q9NZ45 1/20 0.30
CNR2 P34972 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
SCHEMBL4471133 0.83 KDM4E (0.39) ALOX15HDAC8MAPTIDO1MEN1
SCHEMBL13801822 0.78 HDAC8 (0.42) ALOX15HDAC8MAPTMEN1ALDH1A1
SCHEMBL13801609 0.71 PTGS1 (0.42) ALOX15HDAC8MAPTIDO1MEN1
SCHEMBL19118720 0.70 HDAC8 (0.36) ALOX15HDAC8MAPTALDH1A1CA1
SCHEMBL26300888 0.67 PABPC1 (0.42) ALOX15HDAC8IDO1KMT2APABPC1
SCHEMBL3765920 0.67 S1PR1 (0.33)
SCHEMBL1498769 0.67 S1PR1 (0.33)
SCHEMBL2973035 0.62 ALOX15 (0.40) ALOX15HDAC8MAPTALDH1A1KDM4E
SCHEMBL13801653 0.61 PDE4A (0.41) ALOX15MAPTKDM4EGAACA1
SCHEMBL19142662 0.61 PTGS1 (0.40) ALOX15HDAC8MAPTIDO1MEN1

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 8 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
WO-2009076091-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME CHEMTURA CORPORATION (US) 2009-06-18 WO 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 ALOX15 208/4885HDAC8 3297/4885MAPT 3274/4885
US-20090156441-A1 Cycloalkyl phenylenediamines as deposit control agents for lubricants C5, C9, C1S ALOX15 65/4885HDAC8 4804/4885MAPT 2214/4885

“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.