SCHEMBL5873318

SCHEMBL5873318

O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
CYP2A6 P11509 2/20 0.52
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
CYP2A13 Q16696 1/20 0.48
APP P05067 1/20 0.47
TP53 P04637 1/20 0.42
IP6K1 Q92551 1/20 0.41
DRD1 P21728 5/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11937052 1.00 ALDH1A1 (0.52) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL14491179 1.00 ALDH1A1 (0.52) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL28436775 1.00 ALDH1A1 (0.52) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL14408396 0.98 ALDH1A1 (0.50) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL12294221 0.96 ALDH1A1 (0.52) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL5195266 0.96 ALDH1A1 (0.52) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL7008365 0.96 ALDH1A1 (0.52) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL13021500 0.96 ALDH1A1 (0.52) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL13808643 0.91 ALDH1A1 (0.58) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL30825214 0.91 ALDH1A1 (0.52) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13

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-7718825-B2 formylating first arylamine compound to form formyl substituted arylamine compound, and acidifying the formyl substituted arylamine compound, in the presence of a solvent and a solid organic catalyst, to convert formyl functional groups into acid functional groups to form an acidified compound XEROX CORPORATION (US) 2010-05-18 US disclosed
US-7718825-B2 formylating first arylamine compound to form formyl substituted arylamine compound, and acidifying the formyl substituted arylamine compound, in the presence of a solvent and a solid organic catalyst, to convert formyl functional groups into acid functional groups to form an acidified compound XEROX CORPORATION (US) 2010-05-18 US disclosed
US-7652148-B1 Electrophilic aromatic substitution with diacyl imidazolium XEROX CORPORATION (US) 2010-01-26 US disclosed
US-7652148-B1 Electrophilic aromatic substitution with diacyl imidazolium XEROX CORPORATION (US) 2010-01-26 US disclosed
US-20070232830-A1 formylating first arylamine compound to form formyl substituted arylamine compound, and acidifying the formyl substituted arylamine compound, in the presence of a solvent and a solid organic catalyst, to convert formyl functional groups into acid functional groups to form an acidified compound XEROX CORPORATION (US) 2007-10-04 US disclosed
US-20070232830-A1 formylating first arylamine compound to form formyl substituted arylamine compound, and acidifying the formyl substituted arylamine compound, in the presence of a solvent and a solid organic catalyst, to convert formyl functional groups into acid functional groups to form an acidified compound XEROX CORPORATION (US) 2007-10-04 US disclosed
US-7122700-B2 Arylamine processes XEROX CORPORATION (US) 2006-10-17 US disclosed
US-20060025631-A1 Arylamine processes XEROX CORPORATION 2006-02-02 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-20070232830-A1 formylating first arylamine compound to form formyl substituted arylamine compound, and acidifying the formyl substituted arylamine compound, in the presence of a solvent and a solid organic catalyst, to convert formyl functional groups into acid functional groups to form an acidified compound AHR, NAT1, MAOA ALDH1A1 90/4885CYP2A6 172/4885ALDH3A1 190/4885
US-20060025631-A1 Arylamine processes AHR, MAOA, MAOB ALDH1A1 457/4885CYP2A6 29/4885ALDH3A1 412/4885

“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.