SCHEMBL3698294

SCHEMBL3698294

Nc1ccc(N(C2CCCCCCCCC2)C2CCCCCCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
CYP3A4 P08684 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 2/20 0.39
NFE2L2 Q16236 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 3/20 0.36
EPHX1 P07099 2/20 0.36
GAA P10253 2/20 0.36
RECQL P46063 2/20 0.35
TSHR P16473 2/20 0.35
PSMD14 O00487 1/20 0.35

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
SCHEMBL3692131 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL39105 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL28639904 0.94 CYP3A4 (0.42) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL5564438 0.91 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL3694254 0.89 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL4492651 0.89 HRH4 (0.38) ALDH1A1CYP3A4ALOX15KDM4ECYP2D6
SCHEMBL15031168 0.82 HRH3 (0.47) ALDH1A1ALOX15KDM4ERAB9ARECQL
SCHEMBL14817555 0.82 HRH3 (0.47) ALDH1A1ALOX15KDM4ERAB9ARECQL
SCHEMBL6608762 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL8185165 0.78 TRPM8 (0.44) ALDH1A1CYP3A4CYP1A2CYP2C19RAB9A

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
EP-2240559-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS Chemtura Corporation (US) 2010-10-20 EP disclosed
US-20090156441-A1 Cycloalkyl phenylenediamines as deposit control agents for lubricants GREAT LAKES CHEMICAL GLOBAL, INC. 2009-06-18 US disclosed
WO-2009076090-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS CHEMTURA CORPORATION (US) 2009-06-18 WO 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 ALDH1A1 1125/4885CYP3A4 993/4885TDP1 1337/4885

“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.