SCHEMBL4144064

SCHEMBL4144064

[O-][n+]1c(-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 5/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 4/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
NTSR1 P30989 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
UHRF1 Q96T88 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
SLC6A4 P31645 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAOA P21397 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
SCHEMBL2956668 0.86 HTT (0.41) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL1258316 0.81 KMO (0.37) ALDH1A1RAB9AKDM4EUHRF1MEN1
SCHEMBL18254191 0.81 CA2 (0.34) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL28889067 0.81 GSR (0.38) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL4151828 0.81 KIF11 (0.63) ALDH1A1MEN1KMT2A
SCHEMBL4146554 0.79 KDM4E (0.44) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL12892614 0.78 SMN1; SMN2 (0.41) RAB9AKDM4EHTTMAPK1MEN1
SCHEMBL316983 0.76 HTT (0.44) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL31088294 0.76 HTT (0.44) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL8463 0.69 ALDH1A1 (0.90) ALDH1A1RAB9ANPC1MAPK1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 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-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH ALDH1A1 44/4885RAB9A 2726/4885KDM4E 4036/4885

“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.