SCHEMBL16685476

SCHEMBL16685476

CCOc1ccc(CN(C(=O)CCl)c2cccc(Br)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 1/20 0.55
HTT P42858 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
PAX8 Q06710 3/20 0.54
JAK2 O60674 1/20 0.54
GLA P06280 1/20 0.50
RNF4 P78317 1/20 0.48
LTB4R2 Q9NPC1 6/20 0.46
BCL2A1 Q16548 1/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
TP53 P04637 1/20 0.41
GPX4 P36969 1/20 0.41
MAOB P27338 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
SCHEMBL27876348 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL18426007 0.76 LTB4R2 (0.80) LTB4R2PTGDR2
SCHEMBL18424708 0.74 LTB4R2 (0.73) LTB4R2PTGDR2
SCHEMBL20183671 0.74 LTB4R2 (0.69) LTB4R2PTGDR2
SCHEMBL31186740 0.72 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL28229600 0.71 LTB4R2 (0.71) LTB4R2
SCHEMBL1925718 0.70 RAB9A (0.51) ALDH1A1SMN1; SMN2KDM4EHTTNPC1
SCHEMBL31186727 0.70 RNF4 (0.66) ALDH1A1SMN1; SMN2KDM4EHTTNPC1
SCHEMBL18338252 0.70 RAB9A (1.00) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL18425363 0.70 LTB4R2 (0.76) LTB4R2

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-20160280619-A1 PROCESS FOR THE PREPARATION OF 4-BROMO-1-CHLORO-2-(4-ETHOXYBENZYL)BENZENE RANBAXY LABORATORIES LIMITED (IN) 2016-09-29 US disclosed
EP-3063116-A1 PROCESS FOR THE PREPARATION OF 4-BROMO-1-CHLORO-2-(4-ETHOXYBENZYL)BENZENE Sun Pharmaceutical Industries Ltd (IN) 2016-09-07 EP disclosed
WO-2015063726-A1 PROCESS FOR THE PREPARATION OF 4-BROMO-1-CHLORO-2-(4-ETHOXYBENZYL)BENZENE RANBAXY LABORATORIES LIMITED (IN) 2015-05-07 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-20160280619-A1 PROCESS FOR THE PREPARATION OF 4-BROMO-1-CHLORO-2-(4-ETHOXYBENZYL)BENZENE SLC5A2, SLC5A1, DPP4 ALDH1A1 257/4885SMN1; SMN2 4575/4885KDM4E 851/4885

“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.