SCHEMBL2135063

SCHEMBL2135063

CCCCC(CC)CC1(CC(CC)CCCC)c2cc(Br)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
LMNA P02545 2/20 0.31
CYP3A4 P08684 2/20 0.30
CA2 P00918 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
SCHEMBL29539705 0.87 ALDH1A1 (0.33) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL679081 0.87 ALDH1A1 (0.33) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL9898232 0.86 MEN1 (0.39) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL16309130 0.83 ALDH1A1 (0.33) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL13170266 0.82 PDK2 (0.34) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL15399801 0.82 MEN1 (0.36) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL27937227 0.81 MEN1 (0.35) MEN1KMT2A
SCHEMBL10021911 0.81 MAPT (0.32) MEN1KMT2AMAPTL3MBTL1
SCHEMBL12137217 0.81 MMP2 (0.33) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL2135982 0.81 LPL (0.37) MEN1KMT2AMAPTL3MBTL1

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-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS NDSU RESEARCH FOUNDATION (US) 2012-04-26 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-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS OCIAD2, OCIAD1, NONO MEN1 1678/4885KMT2A 2880/4885MAPT 532/4885

“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.