SCHEMBL4478730

SCHEMBL4478730

Nc1ccc(N)c(C2CC2)c1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
USP7 Q93009 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
THRB P10828 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL3692132 0.86 TDO2 (0.38) SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL247757 0.86 TDO2 (0.38) SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL4482096 0.86 TDO2 (0.38) SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL25026438 0.77 ACHE (0.34) PTGS1PTGS2BCHEACHE
SCHEMBL1498695 0.75 ALDH1A1 (0.32) BCHEACHE
SCHEMBL5256116 0.73 ABCB1 (0.47)
SCHEMBL25205946 0.73 ABCB1 (0.36) PTGS1PTGS2USP7
SCHEMBL459226 0.73 ABCB1 (0.36) PTGS1PTGS2USP7
SCHEMBL25409844 0.73 CD44 (0.48) TDP1CYP3A4
SCHEMBL18840670 0.73 PTGER4 (0.32)

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 1 patent. 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 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-20090156441-A1 Cycloalkyl phenylenediamines as deposit control agents for lubricants C5, C9, C1S PTGS1 1901/4885PTGS2 1497/4885USP7 1612/4885

“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.