SCHEMBL4486176

SCHEMBL4486176

c1ccc(C(NC2CCCCC2)NC2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
IDO1 P14902 2/20 0.47
EPHX1 P07099 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL16180045 0.83 GAA (0.63) GAAL3MBTL1IDO1EPHX1KDM4E
SCHEMBL14848196 0.83 GAA (0.63) GAAL3MBTL1IDO1EPHX1KDM4E
SCHEMBL11522552 0.81 GAA (0.66) GAAL3MBTL1IDO1EPHX1KDM4E
SCHEMBL28091017 0.80 GAA (0.96) GAAL3MBTL1IDO1EPHX1KDM4E
SCHEMBL21104687 0.80 GAA (0.96) GAAL3MBTL1IDO1EPHX1KDM4E
SCHEMBL3671016 0.80 GAA (0.96) GAAL3MBTL1IDO1EPHX1KDM4E
SCHEMBL3665297 0.80 GAA (0.96) GAAL3MBTL1IDO1EPHX1KDM4E
SCHEMBL9245326 0.80 GAA (0.59) GAAL3MBTL1IDO1EPHX1KDM4E
Hydrochloric Acid SCHEMBL28720089 0.79 GAA (0.93) GAAL3MBTL1IDO1EPHX1LMNA
SCHEMBL3668041 0.78 GAA (1.00) GAAL3MBTL1EPHX1LMNACNR1

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 3 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
US-20230200209-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
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 (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-20230200209-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME CRY1, ZFX, PPOX GAA 1497/4885L3MBTL1 21/4885IDO1 1116/4885
US-20090156441-A1 Cycloalkyl phenylenediamines as deposit control agents for lubricants C5, C9, C1S GAA 3581/4885L3MBTL1 2545/4885IDO1 628/4885

“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.