SCHEMBL2511650

SCHEMBL2511650

CC(=O)[Cu].CCCCC(CCCC)c1ccnc(-c2cc(C(CCCC)CCCC)ccn2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM4C Q9H3R0 2/20 0.33
KDM5C P41229 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TACR3 P29371 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
BRS3 P32247 1/20 0.33
JMJD6 Q6NYC1 3/20 0.33
POLB P06746 1/20 0.32
LTB4R Q15722 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL175672 0.89 CCR1 (0.38) KDM5AKDM5BPSEN1PSEN2APH1B
Bromide SCHEMBL2514869 0.86 CCR1 (0.35) KDM5AKDM5BPOLBALDH1A1
SCHEMBL145233 0.83 CCR1 (0.33) BRS3POLBALDH1A1
SCHEMBL3040111 0.83 NR1I2 (0.39) KDM5AKDM5BKDM4CPSEN1PSEN2
SCHEMBL174988 0.83 NR1I2 (0.39) KDM5AKDM4E
SCHEMBL4308271 0.79
SCHEMBL13039644 0.78 LNPEP (0.37) KDM4E
SCHEMBL5974098 0.77 NR1I2 (0.47) KDM5AKDM4E
SCHEMBL6417924 0.77 KDM5A (0.50) KDM5AKDM5BKDM4CKDM5CKDM4E
SCHEMBL2136994 0.75 ALDH1A1 (0.35) KDM4EALDH1A1

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-8034971-B2 Method for producing 1,2-phenylethane compound using atom transfer radical coupling reaction NIPPON SODA CO., LTD. (JP) 2011-10-11 US disclosed
US-20090275772-A1 Metrod for Producing 1,2-Phenylethane Compound Using Atom Transfer Radical Coupling Reaction NIPPON SODA CO., LTD. (JP) 2009-11-05 US disclosed
EP-1997798-A1 METHOD FOR PRODUCING 1,2-PHENYLETHANE COMPOUND USING ATOM TRANSFER RADICAL COUPLING REACTION Nippon Soda Co., Ltd. (JP) 2008-12-03 EP 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-20090275772-A1 Metrod for Producing 1,2-Phenylethane Compound Using Atom Transfer Radical Coupling Reaction ROS1, MET, MT-CO1 KDM5A 2732/4885KDM5B 2937/4885KDM4C 3273/4885

“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.